Cas no 476471-41-7 (BUTANOIC ACID, 4-BROMO-3-METHYL-)
476471-41-7 structure
Product Name:BUTANOIC ACID, 4-BROMO-3-METHYL-
CAS No:476471-41-7
MF:C5H9BrO2
MW:181.027761220932
CID:3403026
PubChem ID:19697820
Update Time:2025-04-21
BUTANOIC ACID, 4-BROMO-3-METHYL- Chemical and Physical Properties
Names and Identifiers
-
- BUTANOIC ACID, 4-BROMO-3-METHYL-
- 4-bromo-3-methylbutanoic acid
- 476471-41-7
- DTXSID401308112
- SCHEMBL5233212
-
- Inchi： 1S/C5H9BrO2/c1-4(3-6)2-5(7)8/h4H,2-3H2,1H3,(H,7,8)
- InChI Key： FLWGYWNGTJXZAG-UHFFFAOYSA-N
- SMILES： BrCC(C)CC(=O)O
Computed Properties
- Exact Mass: 179.97859g/mol
- Monoisotopic Mass: 179.97859g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 82.5
- 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: 1.3
- Topological Polar Surface Area: 37.3?2
BUTANOIC ACID, 4-BROMO-3-METHYL- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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