Cas no 122451-14-3 (Carbamic acid,N-(2-chloro-2-oxoethyl)-, 1,1-dimethylethyl ester)
122451-14-3 structure
Product Name:Carbamic acid,N-(2-chloro-2-oxoethyl)-, 1,1-dimethylethyl ester
CAS No:122451-14-3
MF:C7H12ClNO3
MW:193.628081321716
CID:104503
PubChem ID:14851096
Update Time:2025-04-18
Carbamic acid,N-(2-chloro-2-oxoethyl)-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,N-(2-chloro-2-oxoethyl)-, 1,1-dimethylethyl ester
- Carbamic acid, (2-chloro-2-oxoethyl)-, 1,1-dimethylethyl ester (9CI)
- CarbaMic acid, (2-chloro-2-oxoethyl)-, 1,1-diMethylethyl ester
- 1,1-Dimethylethyl N-(2-chloro-2-oxoethyl)carbamate
- TERT-BUTYL N-(2-CHLORO-2-OXOETHYL)CARBAMATE
- tert-Butyl (2-chloro-2-oxoethyl)carbamate
- SCHEMBL15707348
- 122451-14-3
- DTXSID601227001
- tert-Butyl(2-chloro-2-oxoethyl)carbamate
-
- Inchi： 1S/C7H12ClNO3/c1-7(2,3)12-6(11)9-4-5(8)10/h4H2,1-3H3,(H,9,11)
- InChI Key： QVVZPIOQOKJWRD-UHFFFAOYSA-N
- SMILES： ClC(CNC(=O)OC(C)(C)C)=O
Computed Properties
- Exact Mass: 193.05066
- Monoisotopic Mass: 193.0505709g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 186
- 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: 1.5
- Topological Polar Surface Area: 55.4?2
Experimental Properties
- PSA: 55.4
Carbamic acid,N-(2-chloro-2-oxoethyl)-, 1,1-dimethylethyl ester Related Literature
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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