5-Amino-7-chloro-4-nitrobenzofurazan

C₆H₃ClN₄O₃CAS 227199-11-3214.56 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₆H₃ClN₄O₃
Molar mass: 214.56 g/mol
Exact mass: 213.9894 Da
logP: 1.37Crippen estimate
Polar surface area: 108.1 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

227199-11-3

SMILES

C1=C(C2=NON=C2C(=C1N)[N+](=O)[O-])Cl

InChIKey

MZWTWPQGWLSURI-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClN4O3/c7-2-1-3(8)6(11(12)13)5-4(2)9-14-10-5/h1H,8H2

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Names and synonyms

1 names

7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-amine

Work with 5-Amino-7-chloro-4-nitrobenzofurazan

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

3-Chloro-2-nitrobenzenamine59483-54-453 % similar NBD-Cl10199-89-052 % similar 4,5-Dichloro-2-nitrobenzenamine6641-64-150 % similar 2-Chloro-5-nitro-1,4-benzenediamine26196-45-249 % similar 2,5-Dichloro-4-nitrobenzenamine6627-34-549 % similar 2,6-Dichloro-3-nitro-4-aminopyridine2897-43-048 % similar 1,3-Dichloro-2-nitrobenzene601-88-745 % similar 5-Chloro-4-fluoro-2-nitrobenzenamine104222-34-644 % similar

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

Elsewhere

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