6-Chloro-2-fluoro-3-methylbenzoic acid

C₈H₆ClFO₂CAS 32890-90-7188.58 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₆ClFO₂
Molar mass: 188.58 g/mol
Exact mass: 188.0040 Da
logP: 2.49Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

32890-90-7

SMILES

CC1=C(C(=C(C=C1)Cl)C(=O)O)F

InChIKey

HLQCBMOWEQKVBL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 6-Chloro-2-fluoro-3-methylbenzoic acid

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

6-Chloro-2-fluoro-3-methylbenzoyl chloride261762-82-765 % similar 2-Chloro-6-methylbenzoic acid21327-86-661 % similar 3-Chloro-2,6-difluorobenzoic acid225104-76-758 % similar 2,3-Difluoro-4-methylbenzoic acid261763-37-557 % similar 2-Fluoro-3-methylbenzoic acid315-31-155 % similar 2,6-Dichloro-3-fluorobenzoic acid178813-78-054 % similar 2,6-Dichlorobenzoic acid50-30-653 % similar 2,3,6-Trichlorobenzoic acid50-31-753 % 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 2-Chloro-6-fluorobenzeneacetic acid37777-76-7 3-Fluoro-4-methoxybenzoyl chloride3907-15-1

Elsewhere

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