Cas no 7596-12-5 ((3-methyl-4-nitrophenyl)(phenyl)methanone)
7596-12-5 structure
Product Name:(3-methyl-4-nitrophenyl)(phenyl)methanone
CAS No:7596-12-5
MF:C14H11NO3
MW:241.242043733597
CID:982186
PubChem ID:347296
Update Time:2025-04-19
(3-methyl-4-nitrophenyl)(phenyl)methanone Chemical and Physical Properties
Names and Identifiers
-
- (3-methyl-4-nitrophenyl)(phenyl)methanone
- 3-methyl-4-nitrobenzophenone; ZINC01598818; 3-methyl-4-nitro-benzophenone; AC1L86YH; SureCN5981573; NSC405901; 5-benzoyl-2-nitrotoluene; 3-Methyl-4-nitro-benzophenon;
- NSC-405901
- 7596-12-5
- NSC405901
- DTXSID00324157
- AKOS025127731
- SCHEMBL5981573
- DB-194183
- DB-189724
- (3-Methyl-4-nitrophenyl)phenylmethanone
- 3-methyl-4-nitrobenzophenone
-
- Inchi： 1S/C14H11NO3/c1-10-9-12(7-8-13(10)15(17)18)14(16)11-5-3-2-4-6-11/h2-9H,1H3
- InChI Key： MTNUOHVOHSKCBX-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C1=CC=C(C(C)=C1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 241.07393
- Monoisotopic Mass: 241.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 318
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 62.9?2
Experimental Properties
- PSA: 60.21
(3-methyl-4-nitrophenyl)(phenyl)methanone Related Literature
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
7596-12-5 ((3-methyl-4-nitrophenyl)(phenyl)methanone) Related Products
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