(5-Methyl-2-nitrophenyl)carbonohydrazonoyl dicyanide

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Basic information

CAS: 64691-88-9
Standard SMILES: Cc1ccc([N+](=O)[O-])c(NN=C(C#N)C#N)c1
InChIKey: CJGNSSIVHXFTRI-UHFFFAOYSA-N
Molecular formula: C10H7N5O2
Average molar mass: 229.19 g/mol
Monoisotopic mass: 229.05997448

Names & identifiers

Preferred name: (5-Methyl-2-nitrophenyl)carbonohydrazonoyl dicyanide
IUPAC: 2-[(5-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile

Names & synonyms

64691-88-9DTXSID40983328(5-Methyl-2-nitrophenyl)carbonohydrazonoyl dicyanideRefChem:1050585DTXCID601410571BRN 0663935((5-Methyl-2-nitrophenyl)hydrazono)propanedinitrileMesoxalonitrile, (6-nitro-m-tolyl)hydrazonePropanedinitrile, ((5-methyl-2-nitrophenyl)hydrazono)-

Database identifiers

CAS: 64691-88-9
PubChem CID: 3049409
DTXSID: DTXSID40983328

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 118 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 403

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Compound notes

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