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3,4-difluorobenzoyl Fluoride

HCID 178762879
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Basic information

CAS
127269-25-4
Standard SMILES
O=C(F)c1ccc(F)c(F)c1
InChIKey
GWNFKYKVGFEKJI-UHFFFAOYSA-N
Molecular formula
C7H3F3O
Average molar mass
160.09 g/mol

Names & identifiers

Preferred name
3,4-difluorobenzoyl Fluoride
IUPAC
3,4-difluorobenzoyl fluoride
English name
Benzoyl fluoride, 3,4-difluoro- (9CI)
Molecular formula
C7H3F3O
Molecular weight
160.0933296

Names & synonyms

3,4-difluorobenzoyl Fluoride127269-25-4SCHEMBL9617322Benzoyl fluoride, 3,4-difluoro-DB-275042Benzoyl fluoride, 3,4-difluoro- (9CI)

Database identifiers

CAS
127269-25-4

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
160

Chemistry & industry

Upstream & downstream products

Downstream products

3,4-Difluorobenzoic acid

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Compound notes

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