2,4-Difluoro-5-nitrobenzoic acid

C7H3F2NO4CAS 153775-33-8203.10 g/mol

Open in Covalent MOL file
N+OO−FFOOH
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 8 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
153775-33-8
SMILES
C1=C(C(=CC(=C1[N+](=O)[O-])F)F)C(=O)O
InChIKey
MDFSGDMPHMKKGB-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F2NO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2H,(H,11,12)

Weigh it out

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

Work with 2,4-Difluoro-5-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-Chloro-4-fluoro-5-nitrobenzoic acid114776-15-774 % similar 4-Chloro-2-fluoro-5-nitrobenzoic acid35112-05-174 % similar 2,3,4-Trifluoro-5-nitro-benzoic acid197520-71-164 % similar 3-Fluoro-4-nitrobenzoic acid403-21-463 % similar 2-Fluoro-4-nitrobenzoic acid403-24-763 % similar 4-Fluoro-3-nitrobenzoic acid453-71-463 % similar 2-Fluoro-5-nitrobenzoic acid7304-32-763 % similar 4-Bromo-5-fluoro-2-nitrobenzoic acid1020717-99-062 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Difluoro-4-nitrobenzoic acid116465-48-6 4,5-Difluoro-2-nitrobenzoic acid20372-63-8 2,6-Difluoro-3-nitrobenzoic acid83141-10-0

Elsewhere

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