Perimidine, 1-methyl-2-(o-nitrophenyl)-

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Basic information

CAS: 63656-66-6
Standard SMILES: CN1C(c2ccccc2[N+](=O)[O-])=Nc2cccc3cccc1c23
InChIKey: UCYBGEYJRNIFNS-UHFFFAOYSA-N
Molecular formula: C18H13N3O2
Average molar mass: 303.3 g/mol
Monoisotopic mass: 303.10077667

Names & identifiers

Preferred name: Perimidine, 1-methyl-2-(o-nitrophenyl)-
IUPAC: 1-methyl-2-(2-nitrophenyl)perimidine

Names & synonyms

Perimidine, 1-methyl-2-(o-nitrophenyl)-63656-66-6BRN 06902561-Methyl-2-(o-nitrophenyl)perimidine1-METHYL-2-(2-NITROPHENYL)-1H-PERIMIDINEDTXSID80213035

Database identifiers

CAS: 63656-66-6
PubChem CID: 3047481
DTXSID: DTXSID80213035
Nikkaji: J69.837G

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 23
Formal charge: 0
Complexity: 501

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Compound notes

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