3-Fluoro-4-methoxybenzoyl chloride

C₈H₆ClFO₂CAS 3907-15-1188.58 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide Ether

Properties

Molecular formula: C₈H₆ClFO₂
Molar mass: 188.58 g/mol
Exact mass: 188.0040 Da
logP: 2.21Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed12.5% of notifiers
H314 Causes severe skin burns and eye damage87.5% of notifiers
H319 Causes serious eye irritation12.5% of notifiers
H335 May cause respiratory irritation12.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P337+P317, P363, P403+P233, P405, P501

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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 4-Methoxy-3-(trifluoromethyl)benzoyl chloride98187-18-963 % 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

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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