Cas no 22074-92-6 (Ethanol, 2-chloro-, methylcarbamate)
22074-92-6 structure
Product Name:Ethanol, 2-chloro-, methylcarbamate
CAS No:22074-92-6
MF:C4H8ClNO2
MW:137.564820289612
CID:912197
PubChem ID:4193692
Update Time:2025-04-19
Ethanol, 2-chloro-, methylcarbamate Chemical and Physical Properties
Names and Identifiers
-
- Ethanol, 2-chloro-, methylcarbamate
- methyl-carbamic acid-(2-chloro-ethyl ester)
- 2-Chloroethyl methylcarbamate
- 22074-92-6
- SCHEMBL8282495
- AKOS006278951
-
- Inchi： 1S/C4H8ClNO2/c1-6-4(7)8-3-2-5/h2-3H2,1H3,(H,6,7)
- InChI Key： QFAYNDIHWGJSRD-UHFFFAOYSA-N
- SMILES： ClCCOC(NC)=O
Computed Properties
- Exact Mass: 155.035
- Monoisotopic Mass: 137.024
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 76.4
- 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: 0.6
- Topological Polar Surface Area: 38.3A^2
Experimental Properties
- PSA: 69.56
Ethanol, 2-chloro-, methylcarbamate Related Literature
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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