Cas no 29302-73-6 (Benzeneacetic acid, a-bromo-2-methyl-)
29302-73-6 structure
Product Name:Benzeneacetic acid, a-bromo-2-methyl-
CAS No:29302-73-6
MF:C9H9BrO2
MW:229.070562124252
CID:240321
PubChem ID:21576624
Update Time:2025-04-19
Benzeneacetic acid, a-bromo-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-bromo-2-methyl-
- Aceticacid, bromo-o-tolyl- (8CI)
- 2-bromo-2-(2-methylphenyl)acetic acid
- a-Bromo-2-methylphenylacetic acid
- DTXSID70616016
- 29302-73-6
- Bromo(2-methylphenyl)acetic acid
- SCHEMBL76634
- AKOS026732499
-
- Inchi： 1S/C9H9BrO2/c1-6-4-2-3-5-7(6)8(10)9(11)12/h2-5,8H,1H3,(H,11,12)
- InChI Key： ADJAWAHSDBSEIY-UHFFFAOYSA-N
- SMILES： BrC(C(=O)O)C1C=CC=CC=1C
Computed Properties
- Exact Mass: 227.97859g/mol
- Monoisotopic Mass: 227.97859g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 170
- 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: 2.6
- Topological Polar Surface Area: 37.3?2
Benzeneacetic acid, a-bromo-2-methyl- Related Literature
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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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
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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