Cas no 769069-45-6 (Carbamic acid, chloro-,1,1-dimethylethyl ester (9CI))
769069-45-6 structure
Product Name:Carbamic acid, chloro-,1,1-dimethylethyl ester (9CI)
CAS No:769069-45-6
MF:C5H10ClNO2
MW:151.591400623322
CID:551156
PubChem ID:11745114
Update Time:2025-04-19
Carbamic acid, chloro-,1,1-dimethylethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, chloro-,1,1-dimethylethyl ester (9CI)
- t-butyl chlorocarbamate
- Carbamic acid,chloro-,1,1-dimethylethyl ester(9ci)
- SCHEMBL766663
- 769069-45-6
- Tert-butyl N-chlorocarbamate
-
- Inchi： 1S/C5H10ClNO2/c1-5(2,3)9-4(8)7-6/h1-3H3,(H,7,8)
- InChI Key： AWQUYUAEGSCHBU-UHFFFAOYSA-N
- SMILES： ClNC(=O)OC(C)(C)C
Computed Properties
- Exact Mass: 151.0400063g/mol
- Monoisotopic Mass: 151.0400063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 108
- 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: 1.3
- Topological Polar Surface Area: 38.3?2
Carbamic acid, chloro-,1,1-dimethylethyl ester (9CI) Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
769069-45-6 (Carbamic acid, chloro-,1,1-dimethylethyl ester (9CI)) Related Products
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