2-Fluoro-6-methoxybenzoyl chlorid

C₈H₆ClFO₂CAS 500912-12-9188.58 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

H314 Causes severe skin burns and eye damage100% of notifiers
H319 Causes serious eye irritation14.3% of notifiers
H335 May cause respiratory irritation28.6% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

500912-12-9

SMILES

COC1=C(C(=CC=C1)F)C(=O)Cl

InChIKey

YZWKSOYWTHKNLX-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClFO2/c1-12-6-4-2-3-5(10)7(6)8(9)11/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

2-Fluoro-6-methoxybenzoyl chloride

Work with 2-Fluoro-6-methoxybenzoyl chlorid

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

2,6-Dimethoxybenzoyl chloride1989-53-375 % similar 2,6-Difluorobenzoyl chloride18063-02-066 % similar 2-Fluoro-6-methoxybenzoic acid137654-21-863 % similar 2-Fluoro-6-methylbenzoyl chloride535961-78-559 % similar 2-Chloro-6-fluorobenzoyl chloride79455-63-358 % similar 3-Fluoro-4-methoxybenzoyl chloride3907-15-155 % similar 2-Methoxybenzoyl chloride21615-34-954 % similar 2-Fluoro-6-(trifluoromethyl)benzoyl chloride109227-12-553 % 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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