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2114-18-3

2114-18-3 | Ethanol, 2-chloro-, 1-carbamate

CAS No: 2114-18-3 Catalog No: AG002LC2 MDL No:MFCD00025467

Product Description

Catalog Number:
AG002LC2
Chemical Name:
Ethanol, 2-chloro-, 1-carbamate
CAS Number:
2114-18-3
Molecular Formula:
C3H6ClNO2
Molecular Weight:
123.5382
MDL Number:
MFCD00025467
IUPAC Name:
2-chloroethyl carbamate
InChI:
InChI=1S/C3H6ClNO2/c4-1-2-7-3(5)6/h1-2H2,(H2,5,6)
InChI Key:
LIJLYNWYKULUHA-UHFFFAOYSA-N
SMILES:
NC(=O)OCCCl
EC Number:
218-310-1
NSC Number:
31185

Properties

Complexity:
66  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.009g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
123.536g/mol
Monoisotopic Mass:
123.009g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

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