Cas no 40781-29-1 ((2S)-2-chloro-N-phenylpropanamide)
40781-29-1 structure
Product Name:(2S)-2-chloro-N-phenylpropanamide
CAS No:40781-29-1
MF:C9H10ClNO
MW:183.634801387787
CID:2633128
PubChem ID:1550591
Update Time:2025-04-21
(2S)-2-chloro-N-phenylpropanamide Chemical and Physical Properties
Names and Identifiers
-
- (2S)-2-chloro-N-phenylpropanamide
- 40781-29-1
- DTXSID60364337
- CHEBI:214165
- DTXCID00315383
-
- Inchi： 1S/C9H10ClNO/c1-7(10)9(12)11-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)/t7-/m0/s1
- InChI Key： BWWXKHHVIAJJFM-ZETCQYMHSA-N
- SMILES： Cl[C@@H](C)C(NC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 183.0450916g/mol
- Monoisotopic Mass: 183.0450916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 155
- 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: 1.9
- Topological Polar Surface Area: 29.1?2
(2S)-2-chloro-N-phenylpropanamide Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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