Cas no 13989-86-1 (Carbamic acid,(2-chloroethyl)-, methyl ester (8CI,9CI))
13989-86-1 structure
Product Name:Carbamic acid,(2-chloroethyl)-, methyl ester (8CI,9CI)
CAS No:13989-86-1
MF:C4H8ClNO2
MW:137.564820289612
CID:225408
PubChem ID:251614
Update Time:2025-04-19
Carbamic acid,(2-chloroethyl)-, methyl ester (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,(2-chloroethyl)-, methyl ester (8CI,9CI)
- (+-)-2-Chlor-buttersaeure-methylester
- (+-)-2-chloro-butyric acid
- (2-Chlor-aethyl)-carbamidsaeure-methylester
- (2-chloro-ethyl)-carbamic acid methyl ester
- 2-chloro-butyric acid methyl ester
- 2-chloroethylcarbamic acid methyl ester
- AC1Q3GFQ
- AR-1J4723
- Butanoic acid,2-chloro-,methyl ester
- methyl (3S)-chlorobutanoate
- methyl 2-chlorobutyrate
- methyl 2-chloroethylcarbamate
- methyl chlorobutyrate
- Methyl N-(beta-chloroethyl)carbamate
- methyl n -(2-chloroethyl) carbamate
- NIOSH/EZ1815000
- AKOS010540267
- Methyl hydrogen (2-chloroethyl)carbonimidate
- Methyl (2-chloroethyl)carbamate
- RHGACTQWKOOOFE-UHFFFAOYSA-N
- DTXSID50930646
- NSC-72197
- EZ18150000
- SCHEMBL7272841
- Carbamic acid, (2-chloroethyl)-, methyl ester
- NCIOpen2_000593
- 13989-86-1
- NSC72197
-
- Inchi： 1S/C4H8ClNO2/c1-8-4(7)6-3-2-5/h2-3H2,1H3,(H,6,7)
- InChI Key： RHGACTQWKOOOFE-UHFFFAOYSA-N
- SMILES： ClCCNC(=O)OC
Computed Properties
- Exact Mass: 137.02444
- Monoisotopic Mass: 137.0243562g/mol
- 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: 0.5
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- PSA: 38.33
- LogP: 0.97210
Carbamic acid,(2-chloroethyl)-, methyl ester (8CI,9CI) Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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