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82477-61-0 molecular structure
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2-chloro-4,6-dimethoxybenzaldehyde

ChemBase ID: 240835
Molecular Formular: C9H9ClO3
Molecular Mass: 200.61896
Monoisotopic Mass: 200.02402183
SMILES and InChIs

SMILES:
c1(c(cc(cc1OC)OC)Cl)C=O
Canonical SMILES:
COc1cc(OC)cc(c1C=O)Cl
InChI:
InChI=1S/C9H9ClO3/c1-12-6-3-8(10)7(5-11)9(4-6)13-2/h3-5H,1-2H3
InChIKey:
WNIGZICIZZIUER-UHFFFAOYSA-N

Cite this record

CBID:240835 http://www.chembase.cn/molecule-240835.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4,6-dimethoxybenzaldehyde
IUPAC Traditional name
2-chloro-4,6-dimethoxybenzaldehyde
Synonyms
2-chloro-4,6-dimethoxybenzaldehyde
CAS Number
82477-61-0
MDL Number
MFCD05863686
PubChem SID
164296745
PubChem CID
3865139

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3865139 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9744503  LogD (pH = 7.4) 1.9744503 
Log P 1.9744503  Molar Refractivity 50.3732 cm3
Polarizability 19.204641 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.529 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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