O-(4-Nitrobenzoyl)hydroxylamine

C₇H₆N₂O₄CAS 35657-36-4182.13 g/mol

Open in Covalent MOL file

Nitro Primary amine

Properties

Molecular formula: C₇H₆N₂O₄
Molar mass: 182.13 g/mol
Exact mass: 182.0328 Da
logP: 0.63Crippen estimate
Polar surface area: 95.5 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

Warning

H317 May cause an allergic skin reaction100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

35657-36-4

SMILES

C1=CC(=CC=C1C(=O)ON)[N+](=O)[O-]

InChIKey

VTKRSTQMGNRMHL-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N2O4/c8-13-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,8H2

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Names and synonyms

1 names

Amino 4-nitrobenzoate

Work with O-(4-Nitrobenzoyl)hydroxylamine

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

Bis(4-nitrophenyl)peroxyanhydride1712-84-174 % similar Methyl 4-nitrobenzoate619-50-168 % similar Ethyl 4-nitrobenzoate99-77-462 % similar 4-Nitrobenzamide619-80-761 % similar P-Nitroacetophenone100-19-654 % similar 4-Nitrobenzoyl chloride122-04-354 % similar 4-Nitrobenzoic acid62-23-754 % similar 4-Nitrobenzoic acid hydrazide636-97-554 % similar

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

Same formula

2,4-Dinitrotoluene121-14-2 5-Amino-2-nitrobenzoic acid13280-60-9 4-Amino-3-nitrobenzoic acid1588-83-6 2-Amino-6-nitrobenzoic acid50573-74-5 2,5-Dioxopyrrolidin-1-yl 2-cyanoacetate56657-76-2 2,3-Dinitrotoluene602-01-7 2-Amino-3-nitrobenzoic acid606-18-8 2,6-Dinitrotoluene606-20-2

Elsewhere

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