Cas no 67021-65-2 (3,4-Dichloro-1,2-oxazole-5-carboxylic acid)
67021-65-2 structure
Product Name:3,4-Dichloro-1,2-oxazole-5-carboxylic acid
CAS No:67021-65-2
MF:C4HCl2NO3
MW:181.961639165878
CID:2796771
PubChem ID:23361755
Update Time:2025-04-21
3,4-Dichloro-1,2-oxazole-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 67021-65-2
- 3,4-Dichloroisoxazole-5-carboxylic acid
- SCHEMBL8307746
- DB-151042
- 3,4-Dichloro-1,2-oxazole-5-carboxylic acid
- 3,4-Dichloro-5-isoxazolecarboxylic acid
- DTXSID30633360
- AKOS006324134
-
- Inchi： 1S/C4HCl2NO3/c5-1-2(4(8)9)10-7-3(1)6/h(H,8,9)
- InChI Key： UZMMBRGUEQGCGW-UHFFFAOYSA-N
- SMILES： ClC1C(=NOC=1C(=O)O)Cl
Computed Properties
- Exact Mass: 180.9333483g/mol
- Monoisotopic Mass: 180.9333483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 153
- 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: 1.8
- Topological Polar Surface Area: 63.3?2
3,4-Dichloro-1,2-oxazole-5-carboxylic acid Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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