Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C11H13BrO3

Suppliers	Catalog Number
Matrix Scientific	028650

Database	Data ID
PubChem	2168633

M. W.

273.12312

CAS

Similarity

N/A

ID: 26102

3-bromo-4,5-diethoxybenzaldehyde

$$$$ Data

M. F.

C11H13BrO3

Suppliers	Catalog Number
ChemBridge	3004917
Matrix Scientific	028651
Enamine	EN300-05340

Database	Data ID
PubChem	2793423

M. W.

273.12312

CAS

90109-64-1

Similarity

N/A

ID: 26103

3-bromo-5-ethoxy-4-methoxybenzaldehyde

$$$$ Data

M. F.

C10H11BrO3

Suppliers	Catalog Number
ChemBridge	3004911
Matrix Scientific	028652
Enamine	EN300-08130

Database	Data ID
PubChem	882635

M. W.

259.09654

CAS

81805-97-2

Similarity

N/A

ID: 26104

3-bromo-5-methoxy-4-propoxybenzaldehyde

$$$$ Data

M. F.

C11H13BrO3

Suppliers	Catalog Number
Matrix Scientific	028653
Enamine	EN300-05334

Database	Data ID
PubChem	2064019

M. W.

273.12312

CAS

91335-52-3

Similarity

N/A

ID: 26105

3-bromo-5-methoxy-4-(propan-2-yloxy)benzaldehyde

$$$$ Data

M. F.

C11H13BrO3

Suppliers	Catalog Number
ChemBridge	3004863
Matrix Scientific	028654

Database	Data ID
PubChem	735490

M. W.

273.12312

CAS

400070-31-7

Similarity

N/A

ID: 26106

2-bromo-4-formyl-6-methoxyphenyl acetate

$$$$ Data

M. F.

C10H9BrO4

Suppliers	Catalog Number
Matrix Scientific	028655
Apollo Scientific	OR27767
Enamine	EN300-92278

Database	Data ID
PubChem	2063926

M. W.

273.08006

CAS

Similarity

N/A

ID: 26107

3-bromo-4-ethoxy-5-methoxybenzaldehyde

$$$$ Data

M. F.

C10H11BrO3

Suppliers	Catalog Number
ChemBridge	3004809
Matrix Scientific	028656
Enamine	EN300-04975

Database	Data ID
PubChem	733086

M. W.

259.09654

CAS

90109-65-2

Similarity

N/A

ID: 26108

3-bromo-4,5-dimethoxybenzaldehyde

$$$$ Data

M. F.

C9H9BrO3

Suppliers	Catalog Number
Sigma Aldrich	130613
Matrix Scientific	028657
Apollo Scientific	OR5176

Database	Data ID
PubChem	81379

M. W.

245.06996

CAS

6948-30-7

Similarity

N/A

ID: 26109

2-bromo-4-hydroxy-5-methoxybenzaldehyde

$$$$ Data More

M. F.

C8H7BrO3

Suppliers	Catalog Number
ChemBridge	3004167
Matrix Scientific	028658
Enamine	EN300-44884

Database	Data ID
PubChem	43376

M. W.

231.04338

CAS

60632-40-8

Similarity

N/A

ID: 26110

2-bromo-5-ethoxy-4-hydroxybenzaldehyde

$$$$ Data

M. F.

C9H9BrO3

Suppliers	Catalog Number
ChemBridge	3004202
Matrix Scientific	028659

Database	Data ID
PubChem	879173

M. W.

245.06996

CAS

340216-58-2

Similarity

N/A

ID: 26111

3-formylphenyl furan-2-carboxylate

$$$$ Data

M. F.

C12H8O4

Suppliers	Catalog Number
Matrix Scientific	028660

Database	Data ID
PubChem	565183

M. W.

216.18952

CAS

Similarity

N/A

ID: 26112

3-formylphenyl thiophene-2-carboxylate

$$$$ Data

M. F.

C12H8O3S

Suppliers	Catalog Number
Matrix Scientific	028661

Database	Data ID
PubChem	4300142

M. W.

232.25512

CAS

Similarity

N/A

ID: 26113

3-formylphenyl cyclopropanecarboxylate

$$$$ Data

M. F.

C11H10O3

Suppliers	Catalog Number
Matrix Scientific	028662

Database	Data ID
PubChem	3314396

M. W.

190.1953

CAS

Similarity

N/A

ID: 26114

3-formylphenyl cyclohexanecarboxylate

$$$$ Data

M. F.

C14H16O3

Suppliers	Catalog Number
Matrix Scientific	028663

Database	Data ID
PubChem	17255523

M. W.

232.27504

CAS

Similarity

N/A

ID: 26115

3-formylphenyl benzoate

$$$$ Data

M. F.

C14H10O3

Suppliers	Catalog Number
Matrix Scientific	028664

Database	Data ID
PubChem	569516

M. W.

226.2274

CAS

Similarity

N/A

ID: 26116

3-formylphenyl 3-methylbenzoate

$$$$ Data

M. F.

C15H12O3

Suppliers	Catalog Number
Matrix Scientific	028665

Database	Data ID
PubChem	4766644

M. W.

240.25398

CAS

Similarity

N/A

ID: 26117

3-formylphenyl 4-methylbenzoate

$$$$ Data

M. F.

C15H12O3

Suppliers	Catalog Number
Matrix Scientific	028666

Database	Data ID
PubChem	807171

M. W.

240.25398

CAS

Similarity

N/A

ID: 26118

3-formylphenyl 4-chlorobenzoate

$$$$ Data

M. F.

C14H9ClO3

Suppliers	Catalog Number
Matrix Scientific	028667

Database	Data ID
PubChem	806979

M. W.

260.67246

CAS

Similarity

N/A

ID: 26119

3-formylphenyl 4-methoxybenzoate

$$$$ Data

M. F.

C15H12O4

Suppliers	Catalog Number
Matrix Scientific	028668

Database	Data ID
PubChem	958133

M. W.

256.25338

CAS

Similarity

N/A

ID: 26120

3-formylphenyl 2-chlorobenzoate

$$$$ Data

M. F.

C14H9ClO3

Suppliers	Catalog Number
Matrix Scientific	028669

Database	Data ID
PubChem	958160

M. W.

260.67246

CAS

Similarity

N/A

ID: 26121

4-formylphenyl benzoate

$$$$ Data

M. F.

C14H10O3

Suppliers	Catalog Number
Matrix Scientific	028670

Database	Data ID
PubChem	220559

M. W.

226.2274

CAS

Similarity

N/A

ID: 26122

4-formylphenyl 2-chlorobenzoate

$$$$ Data

M. F.

C14H9ClO3

Suppliers	Catalog Number
Matrix Scientific	028671

Database	Data ID
PubChem	587339

M. W.

260.67246

CAS

Similarity

N/A

ID: 26123

4-formylphenyl 3-methylbenzoate

$$$$ Data

M. F.

C15H12O3

Suppliers	Catalog Number
Matrix Scientific	028672

Database	Data ID
PubChem	3436253

M. W.

240.25398

CAS

Similarity

N/A

ID: 26124

4-formylphenyl 4-methylbenzoate

$$$$ Data

M. F.

C15H12O3

Suppliers	Catalog Number
Matrix Scientific	028673

Database	Data ID
PubChem	958055

M. W.

240.25398

CAS

Similarity

N/A

ID: 26125

4-formylphenyl 4-chlorobenzoate

$$$$ Data

M. F.

C14H9ClO3

Suppliers	Catalog Number
Matrix Scientific	028674

Database	Data ID
PubChem	691282

M. W.

260.67246

CAS

Similarity

N/A

ID: 26126

4-formylphenyl cyclohexanecarboxylate

$$$$ Data

M. F.

C14H16O3

Suppliers	Catalog Number
Matrix Scientific	028675

Database	Data ID
PubChem	557956

M. W.

232.27504

CAS

Similarity

N/A

ID: 26127

4-formylphenyl cyclopropanecarboxylate

$$$$ Data

M. F.

C11H10O3

Suppliers	Catalog Number
Matrix Scientific	028676

Database	Data ID
PubChem	4513400

M. W.

190.1953

CAS

Similarity

N/A

ID: 26128

4-formylphenyl propanoate

$$$$ Data

M. F.

C10H10O3

Suppliers	Catalog Number
Alfa Aesar	L08732
Matrix Scientific	028677

Database	Data ID
PubChem	123519

M. W.

178.1846

CAS

50262-48-1

Similarity

N/A

ID: 26129

4-formylphenyl furan-2-carboxylate

$$$$ Data

M. F.

C12H8O4

Suppliers	Catalog Number
Matrix Scientific	028678

Database	Data ID
PubChem	677035

M. W.

216.18952

CAS

Similarity

N/A

ID: 26130

4-formylphenyl thiophene-2-carboxylate

$$$$ Data

M. F.

C12H8O3S

Suppliers	Catalog Number
Matrix Scientific	028679

Database	Data ID
PubChem	3114777

M. W.

232.25512

CAS

Similarity

N/A

ID: 26131

4-formyl-2-methoxyphenyl benzoate

$$$$ Data

M. F.

C15H12O4

Suppliers	Catalog Number
Matrix Scientific	028680

Database	Data ID
PubChem	4330388

M. W.

256.25338

CAS

Similarity

N/A

ID: 26132

4-formyl-2-methoxyphenyl 2-chlorobenzoate

$$$$ Data

M. F.

C15H11ClO4

Suppliers	Catalog Number
Matrix Scientific	028681
Enamine	EN300-01107

Database	Data ID
PubChem	766127

M. W.

290.69844

CAS

Similarity

N/A

ID: 26133

4-formyl-2-methoxyphenyl 3-methylbenzoate

$$$$ Data

M. F.

C16H14O4

Suppliers	Catalog Number
Matrix Scientific	028682

Database	Data ID
PubChem	691285

M. W.

270.27996

CAS

Similarity

N/A

ID: 26134

4-formyl-2-methoxyphenyl 4-methylbenzoate

$$$$ Data

M. F.

C16H14O4

Suppliers	Catalog Number
Matrix Scientific	028683

Database	Data ID
PubChem	883591

M. W.

270.27996

CAS

Similarity

N/A

ID: 26135

4-formyl-2-methoxyphenyl 4-methoxybenzoate

$$$$ Data

M. F.

C16H14O5

Suppliers	Catalog Number
Matrix Scientific	028684
Enamine	EN300-01031

Database	Data ID
PubChem	222143

M. W.

286.27936

CAS

5420-38-2

Similarity

N/A

ID: 26136

4-formyl-2-methoxyphenyl 4-chlorobenzoate

$$$$ Data

M. F.

C15H11ClO4

Suppliers	Catalog Number
Matrix Scientific	028685

Database	Data ID
PubChem	691283

M. W.

290.69844

CAS

Similarity

N/A

ID: 26137

4-formyl-2-methoxyphenyl cyclohexanecarboxylate

$$$$ Data

M. F.

C15H18O4

Suppliers	Catalog Number
Matrix Scientific	028686

Database	Data ID
PubChem	4504529

M. W.

262.30102

CAS

Similarity

N/A

ID: 26138

4-formyl-2-methoxyphenyl cyclopropanecarboxylate

$$$$ Data More

M. F.

C12H12O4

Suppliers	Catalog Number
Alfa Aesar	H50486
Matrix Scientific	028687
Apollo Scientific	OR28350

Database	Data ID
PubChem	735524

M. W.

220.22128

CAS

380336-99-2

Similarity

N/A

ID: 26139

4-formyl-2-methoxyphenyl propanoate

$$$$ Data

M. F.

C11H12O4

Suppliers	Catalog Number
Matrix Scientific	028688
Enamine	EN300-92251

Database	Data ID
PubChem	2063321

M. W.

208.21058

CAS

Similarity

N/A

ID: 26140

4-formyl-2-methoxyphenyl acetate

$$$$ Data More

M. F.

C10H10O4

Suppliers	Catalog Number
Sigma Aldrich	258601 W310808
Alfa Aesar	A12103
Matrix Scientific	028689

Database	Data ID
PubChem	61229

M. W.

194.184

CAS

881-68-5

Similarity

N/A

ID: 26141

4-formyl-2-methoxyphenyl furan-2-carboxylate

$$$$ Data

M. F.

C13H10O5

Suppliers	Catalog Number
Matrix Scientific	028690
Enamine	EN300-01049

Database	Data ID
PubChem	703199

M. W.

246.2155

CAS

Similarity

N/A

ID: 26142

2-ethoxy-4-formylphenyl benzoate

$$$$ Data

M. F.

C16H14O4

Suppliers	Catalog Number
Matrix Scientific	028691

Database	Data ID
PubChem	570256

M. W.

270.27996

CAS

Similarity

N/A

ID: 26143

2-ethoxy-4-formylphenyl 2-chlorobenzoate

$$$$ Data

M. F.

C16H13ClO4

Suppliers	Catalog Number
Matrix Scientific	028692

Database	Data ID
PubChem	4692483

M. W.

304.72502

CAS

Similarity

N/A

ID: 26144

2-ethoxy-4-formylphenyl 3-methylbenzoate

$$$$ Data

M. F.

C17H16O4

Suppliers	Catalog Number
Matrix Scientific	028693

Database	Data ID
PubChem	4504527

M. W.

284.30654

CAS

Similarity

N/A

ID: 26145

2-ethoxy-4-formylphenyl 4-methylbenzoate

$$$$ Data

M. F.

C17H16O4

Suppliers	Catalog Number
Matrix Scientific	028694

Database	Data ID
PubChem	818571

M. W.

284.30654

CAS

Similarity

N/A

ID: 26146

2-ethoxy-4-formylphenyl 4-methoxybenzoate

$$$$ Data

M. F.

C17H16O5

Suppliers	Catalog Number
Matrix Scientific	028695

Database	Data ID
PubChem	958132

M. W.

300.30594

CAS

Similarity

N/A

ID: 26147

2-ethoxy-4-formylphenyl 4-chlorobenzoate

$$$$ Data

M. F.

C16H13ClO4

Suppliers	Catalog Number
Matrix Scientific	028696

Database	Data ID
PubChem	2068121

M. W.

304.72502

CAS

Similarity

N/A

ID: 26148

2-ethoxy-4-formylphenyl propanoate

$$$$ Data

M. F.

C12H14O4

Suppliers	Catalog Number
Matrix Scientific	028697
Enamine	EN300-92260

Database	Data ID
PubChem	704538

M. W.

222.23716

CAS

Similarity

N/A

ID: 26149

2-ethoxy-4-formylphenyl acetate

$$$$ Data

M. F.

C11H12O4

Suppliers	Catalog Number
Alfa Aesar	H50488
Matrix Scientific	028698

Database	Data ID
PubChem	155708

M. W.

208.21058

CAS

72207-94-4

Similarity

N/A

ID: 26150

2-ethoxy-4-formylphenyl furan-2-carboxylate

$$$$ Data

M. F.

C14H12O5

Suppliers	Catalog Number
Matrix Scientific	028699

Database	Data ID
PubChem	672303

M. W.

260.24208

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified