Cas no 95338-79-7 (2-Bromo-2-methylbutanoic acid)
2-Bromo-2-methylbutanoic acid structure
Product Name:2-Bromo-2-methylbutanoic acid
CAS No:95338-79-7
MF:C5H9BrO2
MW:181.027761220932
CID:829924
PubChem ID:22250064
Update Time:2025-04-19
2-Bromo-2-methylbutanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-Bromo-2-methylbutanoic acid
- 2-Bromo-2-methylbutyric acid
- 41242-50-6
- 2-Bromo-2-methylbutanoicacid
- Z1198221945
- CS-0257663
- QNNBTWOPPCYKOP-UHFFFAOYSA-N
- SCHEMBL287909
- 2-Bromo-2-methylbutyricacid
- 95338-79-7
- MFCD09743911
- EN300-6750808
- A859086
- bromo-a-methylbutyric acid
- AKOS006331859
- FT-0695525
-
- Inchi： 1S/C5H9BrO2/c1-3-5(2,6)4(7)8/h3H2,1-2H3,(H,7,8)
- InChI Key： QNNBTWOPPCYKOP-UHFFFAOYSA-N
- SMILES： BrC(C(=O)O)(C)CC
Computed Properties
- Exact Mass: 179.97900
- 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: 2
- Complexity: 103
- 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: 1.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.30000
- LogP: 1.63460
2-Bromo-2-methylbutanoic acid Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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