Cas no 7599-05-5 (Benzeneacetonitrile,4-nitro-a-phenyl-)
7599-05-5 structure
Product Name:Benzeneacetonitrile,4-nitro-a-phenyl-
CAS No:7599-05-5
MF:C14H10N2O2
MW:238.241403102875
CID:579524
PubChem ID:347293
Update Time:2025-04-19
Benzeneacetonitrile,4-nitro-a-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile,4-nitro-a-phenyl-
- NSC405898; SMR001875466; 4-nitrophenylphenylcyanomethane; AC1L86Y8; 4-nitrophenylphenylacetonitrile; phenyl-(4-nitrophenyl)acetonitrile; SureCN4839451; (4-nitrophenyl)phenylacetonitrile; (4-nitro-phenyl)-phenyl-acetonitrile; MLS003171584;
- 2-(4-nitrophenyl)-2-phenylacetonitrile
- MLS003171584
- 7599-05-5
- 4-nitrophenylphenylcyano-methane
- NSC-405898
- CHEMBL2362132
- DTXSID90902029
- DTXSID20324154
- NSC405898
- NoName_1231
- SMR001875466
- SCHEMBL4839451
-
- Inchi： 1S/C14H10N2O2/c15-10-14(11-4-2-1-3-5-11)12-6-8-13(9-7-12)16(17)18/h1-9,14H
- InChI Key： DZRUHJSVLPGCMS-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)C(C#N)C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 238.0743
- Monoisotopic Mass: 238.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 327
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 69.6?2
Experimental Properties
- PSA: 66.93
- LogP: 3.77348
Benzeneacetonitrile,4-nitro-a-phenyl- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
7599-05-5 (Benzeneacetonitrile,4-nitro-a-phenyl-) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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