Cas no 49628-52-6 (Pentanoic acid,2-bromo-4-methyl-)
49628-52-6 structure
Product Name:Pentanoic acid,2-bromo-4-methyl-
CAS No:49628-52-6
MF:C6H11BrO2
MW:195.054341554642
CID:333551
PubChem ID:142681
Update Time:2025-04-19
Pentanoic acid,2-bromo-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,2-bromo-4-methyl-
- 2-Bromo-4-methylpentanoic acid
- ACEFYLLINE PIPERAZINE
- (R,S)-2-bromo-4-methylpentanoic acid
- 2(R)-bromo-4-methylpentanoic acid
- 2-Brom-4-methylpentan
- 2-Brom-4-methyl-pentan
- 2-bromo-4-methyl-pentane
- 2-bromo-4-methyl-pentanoic acid
- 4-Brom-2-methyl-pentan
- 4-bromo-2-methylpentane
- 4-Methyl-2-brompentan
- 4-Methyl-2-pentylbromid
- AC1L3TEA
- AC1Q247X
- EINECS 250-123-0
- Pentane, 2-bromo-4-methyl-
- SBB007950
- Pentanoicacid, 2-bromo-4-methyl-, (?à)-
- (?à)-2-Bromoisocapronic acid
- (?à)-a-Bromoisohexanoic acid
- 2-Bromoisocaproic acid
- dl-a-Bromo-g-methylvalericacid
- dl-a-Bromoisocaproic acid
- a-Bromo-g-methylvaleric acid
- a-Bromoisocaproic acid
- 2-bromo-4-methylpentanoicacid
- Pentanoic acid, 2-bromo-4-methyl-
- DTXSID30964308
- Bromisocapronsaure
- 2-bromo-4-methyl-valeric acid
- A872778
- FT-0655379
- (2R)-2-Bromo-4-methylpentanoic acid; (R)-2-Bromo-4-methylpentanoic acid; D-alpha-Bromo-gamma-methylvaleric acid; D-alpha-Bromoisocaproic acid
- SCHEMBL489804
- FT-0710746
- SY074693
- CS-W021616
- 42990-24-9
- FT-0694098
- SB37172
- AKOS006275075
- 49628-52-6
- MFCD00211265
- NNFDHJQLIFECSR-UHFFFAOYSA-N
- MFCD00039606
- Valeric acid, 2-bromo-4-methyl-,
- SY114157
- alpha-bromoisocaproic acid
- Pentanoic acid, 2-bromo-4-methyl-, (R)-
- A827778
- DS-1549
- EN300-207799
-
- Inchi： 1S/C6H11BrO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)
- InChI Key： NNFDHJQLIFECSR-UHFFFAOYSA-N
- SMILES： BrC(C(=O)O)CC(C)C
Computed Properties
- Exact Mass: 193.99423
- Monoisotopic Mass: 193.99424g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 101
- 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: 2.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Color/Form: Not available
- PSA: 37.3
- Solubility: Not available
Pentanoic acid,2-bromo-4-methyl- Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
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
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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