2′-Nitrobenzanilide

C₁₃H₁₀N₂O₃CAS 728-90-5242.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₀N₂O₃
Molar mass: 242.23 g/mol
Exact mass: 242.0691 Da
Melting point: 93 °C
logP: 3.23Crippen estimate
Polar surface area: 75.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

728-90-5

SMILES

O=[N+]([O-])c1ccccc1N=C(O)c1ccccc1

InChIKey

ARMSTQBMUHJXHU-UHFFFAOYSA-N

InChI

InChI=1S/C13H10N2O3/c16-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)15(17)18/h1-9H,(H,14,16)

Weigh it out

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Names and synonyms

8 names

2'-Nitrobenzanilide
N-(2-Nitrophenyl)benzamide
Benzamide, N-(2-nitrophenyl)-
Benzanilide, 2′-nitro-
o′-Nitrobenzanilide
N-(o-Nitrophenyl)benzamide
NSC 406275
N-Benzoyl-2-nitroaniline

Work with 2′-Nitrobenzanilide

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

N-(2-Nitrophenyl)acetamide552-32-962 % similar o-Nitrobenzohydrazide606-26-852 % similar N-(2-Nitrophenyl)hydrazinecarbothioamide73305-12-152 % similar 2-Nitrophenyl isocyanate3320-86-350 % similar 2,3-Dihydro-4-nitro-1H-isoindol-1-one366452-97-350 % similar 3-Nitrophthalimide603-62-350 % similar 2,2'-Dibenzoylaminodiphenyl disulfide135-57-949 % similar 1,2-Dinitrobenzene528-29-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(4′-Hydroxyphenylazo)benzoic acid1634-82-8 2-Amino-5-nitrobenzophenone1775-95-7 4-Amino-3-nitrobenzophenone31431-19-3 4′-Nitrobenzanilide3393-96-2

Elsewhere

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