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433940-20-6 molecular structure
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3-chloro-5-(difluoromethoxy)benzaldehyde

ChemBase ID: 814584
Molecular Formular: C8H5ClF2O2
Molecular Mass: 206.5739064
Monoisotopic Mass: 205.99461352
SMILES and InChIs

SMILES:
c1(cc(cc(c1)OC(F)F)Cl)C=O
Canonical SMILES:
O=Cc1cc(OC(F)F)cc(c1)Cl
InChI:
InChI=1S/C8H5ClF2O2/c9-6-1-5(4-12)2-7(3-6)13-8(10)11/h1-4,8H
InChIKey:
YNVVWUCXMBDGHQ-UHFFFAOYSA-N

Cite this record

CBID:814584 http://www.chembase.cn/molecule-814584.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-5-(difluoromethoxy)benzaldehyde
IUPAC Traditional name
3-chloro-5-(difluoromethoxy)benzaldehyde
Synonyms
3-chloro-5-(difluoromethoxy)benzaldehyde
CAS Number
433940-20-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36778 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36778 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0588799  LogD (pH = 7.4) 3.0588799 
Log P 3.0588799  Molar Refractivity 43.9189 cm3
Polarizability 16.325544 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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