Basic information
- CAS
40415-09-6- Standard SMILES
Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1C- InChIKey
ACLYFHWRGOCAHN-UHFFFAOYSA-N- Molecular formula
- C15H13NO3
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.08954328
Names & identifiers
- Preferred name
- (3,4-Dimethylphenyl)(4-nitrophenyl)methanone
- IUPAC
- (3,4-dimethylphenyl)-(4-nitrophenyl)methanone
Names & synonyms
40415-09-6(3,4-dimethylphenyl)(4-nitrophenyl)methanoneMethanone, (3,4-dimethylphenyl)(4-nitrophenyl)-MLS000532099Cambridge id 5142574Oprea1_185405CHEMBL1459830DTXSID001021164HMS2499J06STK391463AKOS0036178563,4-dimethylphenyl 4-nitrophenyl ketone
Show more names
SMR000137040ST50995908
Database identifiers
- CAS
40415-09-6- PubChem CID
- 786376
- DTXSID
DTXSID001021164- ChEMBL
CHEMBL1459830- Nikkaji
- J2.027.651G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…