Cas no 148470-36-4 (2-Butenal,3-chloro-4-oxo-4-phenyl-, (E)- (9CI))
148470-36-4 structure
Product Name:2-Butenal,3-chloro-4-oxo-4-phenyl-, (E)- (9CI)
CAS No:148470-36-4
MF:C10H7ClO2
MW:194.61438202858
CID:102211
PubChem ID:10965415
Update Time:2025-04-18
2-Butenal,3-chloro-4-oxo-4-phenyl-, (E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenal,3-chloro-4-oxo-4-phenyl-, (E)- (9CI)
- (E)-3-chloro-4-oxo-4-phenylbut-2-enal
- 2-Butenal,3-chloro-4-oxo-4-phenyl-,(E)-(9ci)
- (2E)-3-chloro-4-oxo-4-phenyl-2-butenal
- 2-Butenal, 3-chloro-4-oxo-4-phenyl-, (E)- (9CI)
- DTXSID90450050
- 148470-36-4
- 2-BUTENAL, 3-CHLORO-4-OXO-4-PHENYL-, (E)-
-
- Inchi： 1S/C10H7ClO2/c11-9(6-7-12)10(13)8-4-2-1-3-5-8/h1-7H/b9-6+
- InChI Key： XSGCGLNPKIOTAG-RMKNXTFCSA-N
- SMILES： Cl/C(=C/C=O)/C(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 194.01351
- Monoisotopic Mass: 194.0134572g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 227
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2-Butenal,3-chloro-4-oxo-4-phenyl-, (E)- (9CI) Related Literature
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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