N-(2,4-Dinitrophenyl)-2,4,6-trinitroaniline

HCID 88946

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Basic information

CAS: 21565-22-0
Standard SMILES: O=[N+]([O-])c1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIKey: VSGCEWSTFLCCNI-UHFFFAOYSA-N
Molecular formula: C12H6N6O10
Average molar mass: 394.21 g/mol
Monoisotopic mass: 394.01454041

Names & identifiers

Preferred name: N-(2,4-Dinitrophenyl)-2,4,6-trinitroaniline
IUPAC: N-(2,4-dinitrophenyl)-2,4,6-trinitroaniline
English name: N-(2,4-dinitrophenyl)-2,4,6-trinitroaniline
Molecular formula: C12H6N6O10
Molecular weight: 394.21

Names & synonyms

N-(2,4-Dinitrophenyl)-2,4,6-trinitroaniline21565-22-0EINECS 244-447-1EF2V5Z9PXPDTXSID00175909VSGCEWSTFLCCNI-UHFFFAOYSA-NNS00026902ST51000761(2,4-dinitrophenyl)(2,4,6-trinitrophenyl)amineN-(2,4-Dinitrophenyl)-2,4,6-trinitrobenzenamineBenzenamine, N-(2,4-dinitrophenyl)-2,4,6-trinitro-

Database identifiers

CAS: 21565-22-0
PubChem CID: 88946
DTXSID: DTXSID00175909
UNII: EF2V5Z9PXP
EC Number: 244-447-1
Nikkaji: J226.227D

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 241 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 11
Rotatable bonds: 2
Heavy atoms: 28
Formal charge: 0
Complexity: 636

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