4-Chloro-3-nitrobenzamide

C7H5ClN2O3CAS 16588-06-0200.58 g/mol

Open in Covalent MOL file
H2NOClN+OO−
Aryl halideNitro

Properties

Molecular formula
C7H5ClN2O3
Molar mass
200.58 g/mol
Exact mass
199.9989 Da
Melting point
156 °C
logP
2.13Crippen estimate
Polar surface area
87.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 72 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
16588-06-0
SMILES
N=C(O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIKey
CGXRJCDXGJRBHV-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)

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Names and synonyms

3 names
  • Benzamide, 4-chloro-3-nitro-
  • 3-Nitro-4-chlorobenzamide
  • NSC 127825

Work with 4-Chloro-3-nitrobenzamide

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

Iniparib160003-66-768 % similar 4-Methyl-3-nitrobenzamide19013-11-768 % similar 4-Chloro-3-nitrobenzoic acid96-99-167 % similar 4-Methoxy-3-nitrobenzamide10397-58-763 % similar 4-Chloro-3-nitrobenzoyl chloride38818-50-760 % similar 3-Nitrobenzamide645-09-060 % similar 1-(4-Chloro-3-nitrophenyl)ethanone5465-65-659 % similar 4-Bromo-1-chloro-2-nitrobenzene16588-24-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-5-nitrobenzamide16588-15-1 Aklomide3011-89-0 5-Chloro-2-nitrobenzamide40763-96-0 ((5-Chloropyridin-2-yl)amino)(oxo)acetic acid552850-73-4

Elsewhere

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