Cas no 750647-39-3 (2-Butenoyl chloride, 3-(4-chlorophenyl)-, (2E)-)
750647-39-3 structure
Product Name:2-Butenoyl chloride, 3-(4-chlorophenyl)-, (2E)-
CAS No:750647-39-3
MF:C10H8Cl2O
MW:215.075921058655
CID:540136
PubChem ID:71403835
Update Time:2025-04-19
2-Butenoyl chloride, 3-(4-chlorophenyl)-, (2E)- Chemical and Physical Properties
Names and Identifiers
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- 2-Butenoyl chloride, 3-(4-chlorophenyl)-, (2E)-
- 3-(4-chlorophenyl)but-2-enoyl chloride
- 750647-39-3
- DTXSID10824719
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- Inchi： 1S/C10H8Cl2O/c1-7(6-10(12)13)8-2-4-9(11)5-3-8/h2-6H,1H3
- InChI Key： XKJFKDZKLKBXDD-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C(=CC(=O)Cl)C
Computed Properties
- Exact Mass: 213.9952203g/mol
- Monoisotopic Mass: 213.9952203g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 215
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.8
- Topological Polar Surface Area: 17.1?2
2-Butenoyl chloride, 3-(4-chlorophenyl)-, (2E)- Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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