Cas no 535992-89-3 (2,1-Benzisoxazole-3-carbonyl chloride (9CI))
535992-89-3 structure
Product Name:2,1-Benzisoxazole-3-carbonyl chloride (9CI)
CAS No:535992-89-3
MF:C8H4ClNO2
MW:181.575860977173
CID:938813
PubChem ID:21092956
Update Time:2025-04-19
2,1-Benzisoxazole-3-carbonyl chloride (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2,1-Benzisoxazole-3-carbonyl chloride (9CI)
- 2,1-Benzisoxazole-3-carbonyl chloride
- 2,1-benzoxazole-3-carbonyl chloride
- SCHEMBL4129795
- benzo[c]isoxazole-3-carbonyl chloride
- 535992-89-3
- DB-329514
- DTXSID10610699
- 2,1-Benzisoxazole-3-carbonyl chloride(9ci)
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- Inchi： 1S/C8H4ClNO2/c9-8(11)7-5-3-1-2-4-6(5)10-12-7/h1-4H
- InChI Key： SQOJCCSSLKOMQW-UHFFFAOYSA-N
- SMILES： ClC(C1=C2C=CC=CC2=NO1)=O
Computed Properties
- Exact Mass: 180.9930561g/mol
- Monoisotopic Mass: 180.9930561g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 198
- 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: 2.5
- Topological Polar Surface Area: 43.1?2
2,1-Benzisoxazole-3-carbonyl chloride (9CI) Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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