Basic information
- CAS
85814-62-6- Standard SMILES
CC(=O)c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1[N+](=O)[O-]- InChIKey
FXYSVSIDFQLDBI-UHFFFAOYSA-N- Molecular formula
- C18H14N2O3
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.10044231
Names & identifiers
- Preferred name
- 1-(4-Nitro-2,5-diphenyl-1H-pyrrol-3-YL)ethanone
- IUPAC
- 1-(4-nitro-2,5-diphenyl-1H-pyrrol-3-yl)ethanone
Names & synonyms
85814-62-61-(4-NITRO-2,5-DIPHENYL-1H-PYRROL-3-YL)ETHANONEDTXSID905111901-(4-Nitro-2,5-diphenyl-1H-pyrrol-3-yl)ethan-1-one
Database identifiers
- CAS
85814-62-6- PubChem CID
- 12840653
- DTXSID
DTXSID90511190
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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