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95383-36-1 molecular structure
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2-bromo-4-fluorobenzoyl chloride

ChemBase ID: 93763
Molecular Formular: C7H3BrClFO
Molecular Mass: 237.4535232
Monoisotopic Mass: 235.90398262
SMILES and InChIs

SMILES:
O=C(c1c(cc(cc1)F)Br)Cl
Canonical SMILES:
Fc1ccc(c(c1)Br)C(=O)Cl
InChI:
InChI=1S/C7H3BrClFO/c8-6-3-4(10)1-2-5(6)7(9)11/h1-3H
InChIKey:
AXZRUTPBQMAWLP-UHFFFAOYSA-N

Cite this record

CBID:93763 http://www.chembase.cn/molecule-93763.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-4-fluorobenzoyl chloride
IUPAC Traditional name
2-bromo-4-fluorobenzoyl chloride
Synonyms
2-(Chlorocarbonyl)-5-fluorobromobenzene
2-Bromo-4-fluorobenzoyl chloride
CAS Number
95383-36-1
MDL Number
MFCD07368700
PubChem SID
162080429
PubChem CID
2783346

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2783346 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.075613  LogD (pH = 7.4) 3.075613 
Log P 3.075613  Molar Refractivity 45.0119 cm3
Polarizability 16.913218 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
108-109°C/15mm expand Show data source
Storage Warning
Corrosive/Moisture Sensitive/Store under Argon expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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