[Methyl-[(4-nitrophenyl)diazenyl]amino]methyl acetate

HCID 340884

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Basic information

CAS: 90476-10-1
Standard SMILES: CC(=O)OCN(C)N=Nc1ccc([N+](=O)[O-])cc1
InChIKey: AJRPOUKBMDTBKY-UHFFFAOYSA-N
Molecular formula: C10H12N4O4
Average molar mass: 252.23 g/mol
Monoisotopic mass: 252.08585488

Names & identifiers

Preferred name: [Methyl-[(4-nitrophenyl)diazenyl]amino]methyl acetate
IUPAC: [methyl-[(4-nitrophenyl)diazenyl]amino]methyl acetate

Names & synonyms

90476-10-1[methyl-[(4-nitrophenyl)diazenyl]amino]methyl acetateNSC372082SCHEMBL14514765DTXSID70321219NSC-372082[(2E)-1-Methyl-3-(4-nitrophenyl)triaz-2-en-1-yl]methyl acetate

Database identifiers

CAS: 90476-10-1
PubChem CID: 340884
DTXSID: DTXSID70321219

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 100 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 320

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