Benzimidazole, 4,6-dinitro-2-(trifluoromethyl)-

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Basic information

CAS: 6609-38-7
Standard SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])c2nc(C(F)(F)F)[nH]c2c1
InChIKey: ABJSFSLMGRVNBG-UHFFFAOYSA-N
Molecular formula: C8H3F3N4O4
Average molar mass: 276.13 g/mol
Monoisotopic mass: 276.01063908

Names & identifiers

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

Names & synonyms

BENZIMIDAZOLE, 4,6-DINITRO-2-(TRIFLUOROMETHYL)-BRN 09638354,6-Dinitro-2-(trifluoromethyl)benzimidazole6609-38-7DTXSID20216282RefChem:325894DTXCID20138773ABJSFSLMGRVNBG-UHFFFAOYSA-N4,6-Dinitro-2-(trifluoromethyl)-1H-1,3-benzimidazole

Database identifiers

CAS: 6609-38-7
PubChem CID: 23092
DTXSID: DTXSID20216282
Nikkaji: J582.066I

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 120 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 0
Heavy atoms: 19
Formal charge: 0
Complexity: 393

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Compound notes

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