Cas no 76596-52-6 (5-Isoxazolecarbonyl chloride, 3-bromo-)
76596-52-6 structure
Product Name:5-Isoxazolecarbonyl chloride, 3-bromo-
CAS No:76596-52-6
MF:C4HBrClNO2
MW:210.413239240646
CID:537510
PubChem ID:13626968
Update Time:2025-04-19
5-Isoxazolecarbonyl chloride, 3-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoxazolecarbonyl chloride, 3-bromo-
- 3-bromo-1,2-oxazole-5-carbonyl chloride
- 3-Bromoisoxazole-5-carbonyl chloride
- DTXSID30545338
- SCHEMBL9819411
- 76596-52-6
-
- Inchi： 1S/C4HBrClNO2/c5-3-1-2(4(6)8)9-7-3/h1H
- InChI Key： WBZILTLUABNYFJ-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=O)Cl)ON=1
Computed Properties
- Exact Mass: 208.88792g/mol
- Monoisotopic Mass: 208.88792g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 132
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 43.1?2
5-Isoxazolecarbonyl chloride, 3-bromo- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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