Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)-

HCID 198652

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Basic information

CAS: 89427-40-7
Standard SMILES: Cc1c(Cl)c([N+](=O)[O-])c2nc(C(F)(F)F)[nH]c2c1[N+](=O)[O-]
InChIKey: YPLUNPZVGFKOEU-UHFFFAOYSA-N
Molecular formula: C9H4ClF3N4O4
Average molar mass: 324.6 g/mol
Monoisotopic mass: 323.9873168

Names & identifiers

Preferred name: Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)-
IUPAC: 5-chloro-6-methyl-4,7-dinitro-2-(trifluoromethyl)-1H-benzimidazole

Names & synonyms

Benzimidazole, 6-chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)-89427-40-76-Chloro-4,7-dinitro-5-methyl-2-(trifluoromethyl)benzimidazoleDTXSID602376981H-Benzimidazole, 5-chloro-6-methyl-4,7-dinitro-2-(trifluoromethyl)-RefChem:325975DTXCID101601895-Chloro-6-methyl-4,7-dinitro-2-(trifluoromethyl)-1H-1,3-benzimidazole

Database identifiers

CAS: 89427-40-7
PubChem CID: 198652
DTXSID: DTXSID60237698

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 120 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 0
Heavy atoms: 21
Formal charge: 0
Complexity: 454

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