Cas no 13122-33-3 (Benzene-d, 4-bromo-)
Benzene-d, 4-bromo- structure
Product Name:Benzene-d, 4-bromo-
CAS No:13122-33-3
MF:C6H5Br
MW:158.014062643051
CID:205648
PubChem ID:12204136
Update Time:2025-04-19
Benzene-d, 4-bromo- Chemical and Physical Properties
Names and Identifiers
-
- Benzene-d, 4-bromo-
- 1-bromo-4-deuteriobenzene
- 4-Deuteriobromobenzene
- Benzene-d,p-bromo- (7CI,8CI)
- Bromobenzene-4-d1
- p-Bromobenzene-d
- 4-Bromobenzene-d
- p-deuterobromobenzene
- AT39548
- 1-Bromo(4-~2~H)benzene
- 13122-33-3
- SCHEMBL19168972
- DTXSID60927128
- Bromobenzene (4 D)
- 1-BROMOBENZENE-4-D
-
- MDL： MFCD12922668
- Inchi： 1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H/i1D
- InChI Key： QARVLSVVCXYDNA-MICDWDOJSA-N
- SMILES： BrC1C=CC([2H])=CC=1
Computed Properties
- Exact Mass: 157.96999
- Monoisotopic Mass: 156.964
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 46.1
- 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: 3
- Topological Polar Surface Area: 0A^2
Experimental Properties
- PSA: 0
Benzene-d, 4-bromo- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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