Cas no 54631-38-8 (Propanoic acid, 2-bromo-, 1,1-dimethylethyl ester, (R)-)
54631-38-8 structure
Product Name:Propanoic acid, 2-bromo-, 1,1-dimethylethyl ester, (R)-
CAS No:54631-38-8
MF:C7H13BrO2
MW:209.080921888351
CID:354055
PubChem ID:12882377
Update Time:2025-04-19
Propanoic acid, 2-bromo-, 1,1-dimethylethyl ester, (R)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-bromo-, 1,1-dimethylethyl ester, (R)-
- (r)-(+)-2-bromo-propionic acid tert-butyl ester
- tert-Butyl (2R)-2-bromopropanoate
- DTXSID50512229
- CVAWKJKISIPBOD-RXMQYKEDSA-N
- (R)-tert-Butyl 2-bromopropanoate
- SCHEMBL6207363
- (R)-t-butyl 2-bromopropionate
- 54631-38-8
-
- Inchi： 1S/C7H13BrO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3/t5-/m1/s1
- InChI Key： CVAWKJKISIPBOD-RXMQYKEDSA-N
- SMILES： Br[C@H](C)C(=O)OC(C)(C)C
Computed Properties
- Exact Mass: 208.00989
- Monoisotopic Mass: 208.00989g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 126
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Propanoic acid, 2-bromo-, 1,1-dimethylethyl ester, (R)- Related Literature
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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