Cas no 18910-05-9 (Benzenepropanoic acid, a-bromo-3-methyl-)
18910-05-9 structure
Product Name:Benzenepropanoic acid, a-bromo-3-methyl-
CAS No:18910-05-9
MF:C10H11BrO2
MW:243.097142457962
CID:225166
PubChem ID:265262
Update Time:2025-04-19
Benzenepropanoic acid, a-bromo-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, a-bromo-3-methyl-
- 2-bromo-3-(3-methylphenyl)propanoic acid
- Benzenepropanoic acid,a-bromo-3-methyl
- NSC101121
- 18910-05-9
- NSC-101121
- DTXSID10295304
-
- Inchi： 1S/C10H11BrO2/c1-7-3-2-4-8(5-7)6-9(11)10(12)13/h2-5,9H,6H2,1H3,(H,12,13)
- InChI Key： CVHXNIZMJVFQGZ-UHFFFAOYSA-N
- SMILES： BrC(C(=O)O)CC1C=CC=C(C)C=1
Computed Properties
- Exact Mass: 241.99400
- Monoisotopic Mass: 241.99424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 182
- 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: 2.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.30000
- LogP: 2.38560
Benzenepropanoic acid, a-bromo-3-methyl- Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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