3,4-Difluoro-2-hydroxybenzoic acid

C7H4F2O3CAS 189283-51-0174.10 g/mol

Open in Covalent MOL file
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Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C7H4F2O3
Molar mass
174.10 g/mol
Exact mass
174.0129 Da
logP
1.37Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 8 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
189283-51-0
SMILES
C1=CC(=C(C(=C1C(=O)O)O)F)F
InChIKey
GWOOBUWKTOCYKY-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F2O3/c8-4-2-1-3(7(11)12)6(10)5(4)9/h1-2,10H,(H,11,12)

Weigh it out

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Work with 3,4-Difluoro-2-hydroxybenzoic 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 acid61079-72-971 % similar 3-Hydroxy-2,4,5-trifluorobenzoic acid116751-24-765 % similar 3,4-Difluoro-2-methylbenzoic acid157652-31-863 % similar 2-Bromo-3,4-difluorobenzoic acid170108-05-163 % similar 2,3-Dihydroxy-1,4-benzenedicarboxylic acid19829-72-262 % similar 3-Fluoro-2-hydroxybenzoic acid341-27-562 % similar 2,3-Difluorobenzoic acid4519-39-559 % similar 2,4-Difluoro-3-methylbenzoic acid112857-68-858 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Difluoro-4-hydroxybenzoic acid175968-39-5 2,6-Difluoro-4-hydroxybenzoic acid214917-68-7

Elsewhere

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