Cas no 644964-43-2 (1,1'-Biphenyl, 4-chloro-3-methyl-4'-nitro-)
644964-43-2 structure
Product Name:1,1'-Biphenyl, 4-chloro-3-methyl-4'-nitro-
CAS No:644964-43-2
MF:C13H10ClNO2
MW:247.677002429962
CID:423773
PubChem ID:11379635
Update Time:2025-04-19
1,1'-Biphenyl, 4-chloro-3-methyl-4'-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, 4-chloro-3-methyl-4'-nitro-
- 1-chloro-2-methyl-4-(4-nitrophenyl)benzene
- DTXSID70464099
- 644964-43-2
-
- Inchi： 1S/C13H10ClNO2/c1-9-8-11(4-7-13(9)14)10-2-5-12(6-3-10)15(16)17/h2-8H,1H3
- InChI Key： IHTXEFFXDXIHDG-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1C)C1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 247.0401
- Monoisotopic Mass: 247.0400063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 271
- 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: 4.4
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 43.14
1,1'-Biphenyl, 4-chloro-3-methyl-4'-nitro- Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
644964-43-2 (1,1'-Biphenyl, 4-chloro-3-methyl-4'-nitro-) Related Products
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