Basic information
- CAS
59336-49-1- Standard SMILES
O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1- InChIKey
SVCFXEJYYFCQDC-UHFFFAOYSA-N- Molecular formula
- C16H11N3O3
- Average molar mass
- 293.28 g/mol
- Monoisotopic mass
- 293.08004122
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-
- IUPAC
- 1-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one
Names & synonyms
59336-49-12-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-nitrophenyl)-NCIChal_000044DTXSID70327852NCI60_0340471-(1H-1,3-Benzimidazol-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one
Database identifiers
- CAS
59336-49-1- PubChem CID
- 393359
- DTXSID
DTXSID70327852
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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