3-Chloro-2,4-difluorobenzoic acid

C7H3ClF2O2CAS 154257-75-7192.55 g/mol

Open in Covalent MOL file
OHOFClF
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H3ClF2O2
Molar mass
192.55 g/mol
Exact mass
191.9790 Da
logP
2.32Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
154257-75-7
SMILES
C1=CC(=C(C(=C1C(=O)O)F)Cl)F
InChIKey
YGYZTZAEZMCPSC-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClF2O2/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2H,(H,11,12)

Weigh it out

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

Work with 3-Chloro-2,4-difluorobenzoic 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

2,3,4-Trifluorobenzoic acid61079-72-969 % similar 3-Chloro-2,4,5-trifluorobenzoic acid101513-77-366 % similar 2-Chloro-3-fluorobenzoic acid102940-86-365 % similar 3-Chloro-2,4-difluorobenzoyl chloride157373-00-763 % similar 2,3-Difluorobenzoic acid4519-39-562 % similar 2,4-Difluoro-3-methylbenzoic acid112857-68-861 % similar 3,4-Difluoro-2-hydroxybenzoic acid189283-51-058 % similar 3,4-Difluoro-2-methylbenzoic acid157652-31-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4,5-difluorobenzoic acid110877-64-0 5-Chloro-2,4-difluorobenzoic acid130025-33-1 4-Chloro-2,5-difluorobenzoic acid132794-07-1 4-Chloro-2,3-difluorobenzoic acid150444-94-3 3-Chloro-4,5-difluorobenzoic acid150444-95-4 3-Chloro-2,6-difluorobenzoic acid225104-76-7 2-Chloro-3,6-difluorobenzoic acid287172-74-1 5-Chloro-2,2-difluoro-1,3-benzodioxole72769-08-5

Elsewhere

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