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1-Bromo-3-[(Z)-cyano-NNO-azoxy]benzene

HCID 321949
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Basic information

CAS
62825-09-6
Standard SMILES
N#CN=[N+]([O-])c1cccc(Br)c1
InChIKey
SPTMOHLBULHSEQ-UHFFFAOYSA-N
Molecular formula
C7H4BrN3O
Average molar mass
226.03 g/mol
Monoisotopic mass
224.95377

Names & identifiers

Preferred name
1-Bromo-3-[(Z)-cyano-NNO-azoxy]benzene
IUPAC
(3-bromophenyl)-cyanoimino-oxidoazanium

Names & synonyms

62825-09-6NSC2771871-Bromo-3-[(Z)-cyano-NNO-azoxy]benzeneDTXSID10313774NSC-277187

Database identifiers

CAS
62825-09-6
PubChem CID
321949
DTXSID
DTXSID10313774
Nikkaji
J1.606.949C

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
64.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
232

Related reactions

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Compound notes

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