Cas no 920339-27-1 (Butanamide, 2-bromo-3-methyl-N-phenyl-, (2S)-)
920339-27-1 structure
Product Name:Butanamide, 2-bromo-3-methyl-N-phenyl-, (2S)-
CAS No:920339-27-1
MF:C11H14BrNO
MW:256.138962268829
CID:757169
PubChem ID:41156897
Update Time:2025-04-19
Butanamide, 2-bromo-3-methyl-N-phenyl-, (2S)- Chemical and Physical Properties
Names and Identifiers
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- Butanamide, 2-bromo-3-methyl-N-phenyl-, (2S)-
- (2S)-2-bromo-3-methyl-N-phenylbutanamide
- DTXSID70654650
- 920339-27-1
-
- Inchi: 1S/C11H14BrNO/c1-8(2)10(12)11(14)13-9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,14)/t10-/m0/s1
- InChI Key: UQQHXKRPBKQRLO-JTQLQIEISA-N
- SMILES: Br[C@H](C(NC1C=CC=CC=1)=O)C(C)C
Computed Properties
- Exact Mass: 255.02588g/mol
- Monoisotopic Mass: 255.02588g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 188
- 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: 3.3
- Topological Polar Surface Area: 29.1?2
Butanamide, 2-bromo-3-methyl-N-phenyl-, (2S)- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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