3,5-Dichloro-2-[(1e)-3,3-dimethyltriaz-1-en-1-yl]benzamide

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Basic information

CAS: 66975-01-7
Standard SMILES: CN(C)N=Nc1c(Cl)cc(Cl)cc1C(N)=O
InChIKey: LDIHNYMWLCYIFQ-UHFFFAOYSA-N
Molecular formula: C9H10Cl2N4O
Average molar mass: 261.1 g/mol
Monoisotopic mass: 260.0231663

Names & identifiers

Preferred name: 3,5-Dichloro-2-[(1e)-3,3-dimethyltriaz-1-en-1-yl]benzamide
IUPAC: 3,5-dichloro-2-(dimethylaminodiazenyl)benzamide

Names & synonyms

66975-01-73,5-dichloro-2-[(1e)-3,3-dimethyltriaz-1-en-1-yl]benzamideNSC146372CHEMBL3250797DTXSID20301783NSC-146372Benzamide,5-dichloro-2-(3,3-dimethyl-1-triazenyl)-

Database identifiers

CAS: 66975-01-7
PubChem CID: 287003
DTXSID: DTXSID20301783
ChEMBL: CHEMBL3250797

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 71.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 285

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