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1263378-00-2 molecular structure
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2-chloro-3-fluoro-6-hydroxybenzaldehyde

ChemBase ID: 797822
Molecular Formular: C7H4ClFO2
Molecular Mass: 174.5568632
Monoisotopic Mass: 173.98838527
SMILES and InChIs

SMILES:
c1(c(c(ccc1O)F)Cl)C=O
Canonical SMILES:
O=Cc1c(O)ccc(c1Cl)F
InChI:
InChI=1S/C7H4ClFO2/c8-7-4(3-10)6(11)2-1-5(7)9/h1-3,11H
InChIKey:
BIJQDOONYNJEHP-UHFFFAOYSA-N

Cite this record

CBID:797822 http://www.chembase.cn/molecule-797822.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-3-fluoro-6-hydroxybenzaldehyde
IUPAC Traditional name
2-chloro-3-fluoro-6-hydroxybenzaldehyde
Synonyms
2-Chloro-3-fluoro-6-hydroxy-benzaldehyde
CAS Number
1263378-00-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O9828 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O9828 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.595902  H Acceptors
H Donor LogD (pH = 5.5) 2.7754867 
LogD (pH = 7.4) 2.5669367  Log P 2.7789295 
Molar Refractivity 39.6441 cm3 Polarizability 14.581456 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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