Basic information
- CAS
61652-39-9- Standard SMILES
O=C(C=Nc1cccc([N+](=O)[O-])c1)c1ccc2ccc3ccccc3c2c1- InChIKey
WMAQCYZCABCIKP-UHFFFAOYSA-N- Molecular formula
- C22H14N2O3
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.10044231
Names & identifiers
- Preferred name
- (2E)-2-[(3-Nitrophenyl)imino]-1-(phenanthren-3-yl)ethan-1-one
- IUPAC
- 2-(3-nitrophenyl)imino-1-phenanthren-3-ylethanone
Names & synonyms
61652-39-9DTXSID30495263(2E)-2-[(3-Nitrophenyl)imino]-1-(phenanthren-3-yl)ethan-1-one
Database identifiers
- CAS
61652-39-9- PubChem CID
- 12378320
- DTXSID
DTXSID30495263
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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