(4-Methoxyphenyl)(3-nitrophenyl)methanone
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Basic information
- CAS
54118-78-4- Standard SMILES
COc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1- InChIKey
PJFAYZAQZJOLKX-UHFFFAOYSA-N- Molecular formula
- C14H11NO4
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.06880783
Names & identifiers
- Preferred name
- (4-Methoxyphenyl)(3-nitrophenyl)methanone
- IUPAC
- (4-methoxyphenyl)-(3-nitrophenyl)methanone
Names & synonyms
(4-methoxyphenyl)(3-nitrophenyl)methanone54118-78-4Methanone, (4-methoxyphenyl)(3-nitrophenyl)-4-methoxyphenyl 3-nitrophenyl ketone(4-methoxyphenyl)-(3-nitrophenyl)methanoneCambridge id 5316724Oprea1_100607Oprea1_4119584-methoxy-3'-nitrobenzophenoneSCHEMBL4470153SCHEMBL31067505DTXSID90355238
Show more names
PJFAYZAQZJOLKX-UHFFFAOYSA-N1-(3-nitrobenzoyl)-4-methoxybenzeneAKOS000747663CCG-329403DB-120570(4-methoxyphenyl)-(3-nitrophenyl)-methanoneST50225238AB00080397-01
Database identifiers
- CAS
54118-78-4- PubChem CID
- 794540
- DTXSID
DTXSID90355238- Nikkaji
- J908.059G
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Related reactions
13 records
Compound notes
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