Cas no 5840-41-5 (Benzene, 1-nitro-3-(phenylmethyl)-)
5840-41-5 structure
Product Name:Benzene, 1-nitro-3-(phenylmethyl)-
CAS No:5840-41-5
MF:C13H11NO2
MW:213.231943368912
CID:342210
PubChem ID:521838
Update Time:2025-04-19
Benzene, 1-nitro-3-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-nitro-3-(phenylmethyl)-
- 1-benzyl-3-nitrobenzene
- Methane, (m-nitrophenyl)phenyl-
- m-Nitrodiphenylmethane
- DTXSID40334750
- SCHEMBL5250015
- CMTUCQNYLNHJRT-UHFFFAOYSA-N
- 1-Benzyl-3-nitrobenzene #
- 5840-41-5
-
- Inchi： 1S/C13H11NO2/c15-14(16)13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2
- InChI Key： CMTUCQNYLNHJRT-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=CC(=C1)CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 213.07903
- Monoisotopic Mass: 213.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 231
- 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: 45.8?2
Experimental Properties
- PSA: 43.14
Benzene, 1-nitro-3-(phenylmethyl)- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
5840-41-5 (Benzene, 1-nitro-3-(phenylmethyl)-) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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