2,6-Difluoro-3-nitrobenzoic acid

C7H3F2NO4CAS 83141-10-0203.10 g/mol

Open in Covalent MOL file
N+OO−FOOHF
Aryl halideCarboxylic acidNitro

Properties

Molecular formula
C7H3F2NO4
Molar mass
203.10 g/mol
Exact mass
203.0030 Da
logP
1.57Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
83141-10-0
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])F)C(=O)O)F
InChIKey
PDDHSNODMFIIRV-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F2NO4/c8-3-1-2-4(10(13)14)6(9)5(3)7(11)12/h1-2H,(H,11,12)

Weigh it out

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

Work with 2,6-Difluoro-3-nitrobenzoic 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-Fluoro-6-nitrobenzoic acid385-02-468 % similar Methyl 2,6-difluoro-3-nitrobenzoate84832-01-961 % similar 2,3,6-Trifluorobenzoic acid2358-29-461 % similar 2-Fluoro-3-nitrobenzoic acid317-46-460 % similar 3-Fluoro-4-nitrobenzoic acid403-21-460 % similar 4-Fluoro-3-nitrobenzoic acid453-71-460 % similar 1,2,3-Trifluoro-4-nitrobenzene771-69-759 % similar 3-Amino-2,6-difluorobenzoic acid83141-11-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Difluoro-4-nitrobenzoic acid116465-48-6 2,4-Difluoro-5-nitrobenzoic acid153775-33-8 4,5-Difluoro-2-nitrobenzoic acid20372-63-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook