chempirical

3-Fluoro-4-methoxybenzoyl chloride

C8H6ClFO2CAS 3907-15-1188.58 g/mol

Open in Covalent MOL file
OOClF
Acyl halideAryl halideEther

Properties

Molecular formula
C8H6ClFO2
Molar mass
188.58 g/mol
Exact mass
188.0040 Da
logP
2.21Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3907-15-1
SMILES
COC1=C(C=C(C=C1)C(=O)Cl)F
InChIKey
LOSBAHQDKBWMBY-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClFO2/c1-12-7-3-2-5(8(9)11)4-6(7)10/h2-4H,1H3

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Work with 3-Fluoro-4-methoxybenzoyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Dimethoxybenzoyl chloride3535-37-371 % similar 3,4-Difluorobenzoyl chloride76903-88-367 % similar 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-465 % similar 3-Fluoro-4-methoxybenzoic acid403-20-363 % similar 3-Fluoro-4-methylbenzoyl chloride59189-97-859 % similar 4-Fluoro-3-methylbenzoyl chloride455-84-555 % similar 2-Fluoro-6-methoxybenzoyl chlorid500912-12-955 % similar 3,4,5-Trimethoxybenzoyl chloride4521-61-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloro-4-fluorobenzeneacetic acid177985-32-9 4-Chloro-2-fluorophenylacetic acid194240-75-0 2-(3-Chloro-5-fluorophenyl)acetic acid202001-00-1 3-Chloro-2-fluorobenzeneacetic acid261762-96-3 2-Fluoro-4-methoxybenzoylchloride321-24-4 2-Chloro-6-fluoro-3-methylbenzoic acid32890-89-4 6-Chloro-2-fluoro-3-methylbenzoic acid32890-90-7 2-Chloro-6-fluorobenzeneacetic acid37777-76-7

Elsewhere

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