Basic information
- CAS
7596-12-5- Standard SMILES
Cc1cc(C(=O)c2ccccc2)ccc1[N+](=O)[O-]- InChIKey
MTNUOHVOHSKCBX-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- (3-Methyl-4-nitrophenyl)(phenyl)methanone
- IUPAC
- (3-methyl-4-nitrophenyl)-phenylmethanone
- English name
- (3-Methyl-4-nitrophenyl)(phenyl)methanone
- Molecular formula
- C14H11NO3
- Molecular weight
- 241.24
Names & synonyms
(3-Methyl-4-nitrophenyl)(phenyl)methanone7596-12-5DTXSID00324157RefChem:207719DTXCID80275274NSC405901SCHEMBL5981573AKOS025127731NSC-405901(3-Methyl-4-nitrophenyl)phenylmethanoneDB-189724DB-194183
Show more names
Methanone, (3-methyl-4-nitrophenyl)phenyl-
Database identifiers
- CAS
7596-12-5- PubChem CID
- 347296
- DTXSID
DTXSID00324157- Nikkaji
- J1.214.425C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Melting point
- 134 · 134-135 °C
- Boiling point
- 410.7 · 410.7±38.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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