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202925-10-8 molecular structure
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(4-chloro-3-fluorophenyl)methanol

ChemBase ID: 12367
Molecular Formular: C7H6ClFO
Molecular Mass: 160.5733432
Monoisotopic Mass: 160.00912071
SMILES and InChIs

SMILES:
c1c(c(cc(c1)CO)F)Cl
Canonical SMILES:
OCc1ccc(c(c1)F)Cl
InChI:
InChI=1S/C7H6ClFO/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
InChIKey:
JEAFLVNESBTMPU-UHFFFAOYSA-N

Cite this record

CBID:12367 http://www.chembase.cn/molecule-12367.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-chloro-3-fluorophenyl)methanol
IUPAC Traditional name
(4-chloro-3-fluorophenyl)methanol
Synonyms
3-Fluoro-4-chlorobenzyl alcohol
4-Chloro-3-fluorobenzyl alcohol
4-Chloro-3-fluorobenzyl alcohol 96%
CAS Number
202925-10-8
MDL Number
MFCD00143292
PubChem SID
160975674
PubChem CID
2773611

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2773611 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.814918  H Acceptors
H Donor LogD (pH = 5.5) 1.9526427 
LogD (pH = 7.4) 1.9526427  Log P 1.9526427 
Molar Refractivity 37.8951 cm3 Polarizability 14.421274 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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