Home > Compound List > Compound details
MFCD01934803 molecular structure
click picture or here to close

ethyl 5-(4-chlorophenyl)-4-(chlorosulfonyl)-2-methylfuran-3-carboxylate

ChemBase ID: 73722
Molecular Formular: C14H12Cl2O5S
Molecular Mass: 363.21308
Monoisotopic Mass: 361.97824984
SMILES and InChIs

SMILES:
o1c(c(S(=O)(=O)Cl)c(c1C)C(=O)OCC)c1ccc(cc1)Cl
Canonical SMILES:
CCOC(=O)c1c(C)oc(c1S(=O)(=O)Cl)c1ccc(cc1)Cl
InChI:
InChI=1S/C14H12Cl2O5S/c1-3-20-14(17)11-8(2)21-12(13(11)22(16,18)19)9-4-6-10(15)7-5-9/h4-7H,3H2,1-2H3
InChIKey:
OPEXBUHVPPZMAA-UHFFFAOYSA-N

Cite this record

CBID:73722 http://www.chembase.cn/molecule-73722.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 5-(4-chlorophenyl)-4-(chlorosulfonyl)-2-methylfuran-3-carboxylate
IUPAC Traditional name
ethyl 5-(4-chlorophenyl)-4-(chlorosulfonyl)-2-methylfuran-3-carboxylate
Synonyms
Ethyl 5-(4-chlorophenyl)-4-(chlorosulphonyl)-2-methyl-3-furoate, tech
MDL Number
MFCD01934803
PubChem SID
162038641
PubChem CID
2736389

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR018431 external link Add to cart Please log in.
Data Source Data ID
PubChem 2736389 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7909117  LogD (pH = 7.4) 3.7909117 
Log P 3.7909117  Molar Refractivity 84.5077 cm3
Polarizability 34.19638 Å3 Polar Surface Area 73.58 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
79-81°C expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle