Cas no 16844-21-6 (Carbamic acid, chloro-, ethyl ester)
16844-21-6 structure
Product Name:Carbamic acid, chloro-, ethyl ester
CAS No:16844-21-6
MF:C3H6ClNO2
MW:123.538239955902
CID:1355859
PubChem ID:11829582
Update Time:2025-04-20
Carbamic acid, chloro-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, chloro-, ethyl ester
- ethyl N-chlorocarbamate
- Chlor-carbamidsaeure-aethylester
- chlorocarbamic acid ethyl ester
- ethyl chlorocarbamate
- ethyl-N-chlorcarbamat
- N-chloro-carbamic acid ethyl ester
- N-chlorourethan
- N-chlorourethane
- DA-09453
- 16844-21-6
- SCHEMBL1282361
- DTXSID80473975
- ICDQOGMPYSAZFB-UHFFFAOYSA-N
-
- Inchi： 1S/C3H6ClNO2/c1-2-7-3(6)5-4/h2H2,1H3,(H,5,6)
- InChI Key： ICDQOGMPYSAZFB-UHFFFAOYSA-N
- SMILES： ClNC(=O)OCC
Computed Properties
- Exact Mass: 123.00900
- Monoisotopic Mass: 123.0087061g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 66
- 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: 0.7
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- PSA: 41.82000
- LogP: 1.09070
Carbamic acid, chloro-, ethyl ester Related Literature
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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