3-Nitrobenzohydrazide

C₇H₇N₃O₃CAS 618-94-0181.15 g/mol

Open in Covalent MOL file

Hydrazone Nitro Primary amine

Properties

Molecular formula: C₇H₇N₃O₃
Molar mass: 181.15 g/mol
Exact mass: 181.0487 Da
Melting point: 153–154 °C
logP: 0.77Crippen estimate
Polar surface area: 101.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

618-94-0

SMILES

NN=C(O)c1cccc([N+](=O)[O-])c1

InChIKey

NQEWXLVDAVTOHM-UHFFFAOYSA-N

InChI

InChI=1S/C7H7N3O3/c8-9-7(11)5-2-1-3-6(4-5)10(12)13/h1-4H,8H2,(H,9,11)

Weigh it out

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

Names and synonyms

16 names · show all

Benzoic acid, 3-nitro-, hydrazide
Benzoic acid, m-nitro-, hydrazide
m-Nitrobenzoylhydrazine
m-Nitrobenzoic acid hydrazide
3-Nitrobenzhydrazide
3-Nitrobenzoic acid hydrazide
m-Nitrobenzhydrazide
3-Nitrobenzoylhydrazine
m-Nitrobenzoic hydrazide
m-Nitrobenzoylhydrazide
m-Nitrobenzohydrazide
3-Nitrobenzoyl hydrazide
NSC 123864
NSC 3558
INHd 20
Meta-nitrobenzoyl hydrazine

Work with 3-Nitrobenzohydrazide

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

Isophthalic dihydrazide2760-98-760 % similar 3-Nitrobenzamide645-09-059 % similar 3,3′-Dinitrobenzophenone21222-05-956 % similar 3-Nitrobenzoyl bromide13277-62-854 % similar M-Aminobenzhydrazide14062-34-153 % similar 3-Chlorobenzohydrazide1673-47-853 % similar 3-Bromobenzoic acid hydrazide39115-96-353 % similar m-Fluorobenzoic acid hydrazide499-55-853 % similar

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

Same formula

2-Nitrobenzohydrazide606-26-8 4-Nitrobenzoic acid hydrazide636-97-5

Elsewhere

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