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20708-12-7 | Carbamic acid, N-(2-hydroxyethyl)-, 2,2,2-trichloroethyl ester
CAS No: 20708-12-7 Catalog No: AG002ITK MDL No:
Product Description
Catalog Number:
AG002ITK
Chemical Name:
Carbamic acid, N-(2-hydroxyethyl)-, 2,2,2-trichloroethyl ester
CAS Number:
20708-12-7
Molecular Formula:
C5H8Cl3NO3
Molecular Weight:
236.4809
IUPAC Name:
2,2,2-trichloroethyl N-(2-hydroxyethyl)carbamate
InChI:
InChI=1S/C5H8Cl3NO3/c6-5(7,8)3-12-4(11)9-1-2-10/h10H,1-3H2,(H,9,11)
InChI Key:
YVRXVQKGDBHBSZ-UHFFFAOYSA-N
SMILES:
OCCNC(=O)OCC(Cl)(Cl)Cl
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.957g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.473g/mol
Monoisotopic Mass:
234.957g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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