Cas no 94367-56-3 (1,1'-Biphenyl,4-(methyl-d3)-)
1,1'-Biphenyl,4-(methyl-d3)- structure
Product Name:1,1'-Biphenyl,4-(methyl-d3)-
CAS No:94367-56-3
MF:C13H12
MW:171.252868652344
CID:798571
PubChem ID:58720980
Update Time:2025-04-19
1,1'-Biphenyl,4-(methyl-d3)- Chemical and Physical Properties
Names and Identifiers
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- 1,1'-Biphenyl,4-(methyl-d3)-
- 4-METHYL-D3-DIPHENYL
- 1-phenyl-4-(trideuteriomethyl)benzene
- 94367-56-3
-
- Inchi： 1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3/i1D3
- InChI Key： ZZLCFHIKESPLTH-FIBGUPNXSA-N
- SMILES： C1(C=CC(C([2H])([2H])[2H])=CC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 171.113
- Monoisotopic Mass: 171.113
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 136
- 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: 4.6
- Topological Polar Surface Area: 0A^2
1,1'-Biphenyl,4-(methyl-d3)- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
94367-56-3 (1,1'-Biphenyl,4-(methyl-d3)-) Related Products
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