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78578-67-3 | Carbamic acid, [2-(chlorosulfonyl)ethyl]-, 2,2,2-trichloroethyl ester
CAS No: 78578-67-3 Catalog No: AG0052Q6 MDL No:
Product Description
Catalog Number:
AG0052Q6
Chemical Name:
Carbamic acid, [2-(chlorosulfonyl)ethyl]-, 2,2,2-trichloroethyl ester
CAS Number:
78578-67-3
Molecular Formula:
C5H7Cl4NO4S
Molecular Weight:
318.9904
IUPAC Name:
2,2,2-trichloroethyl N-(2-chlorosulfonylethyl)carbamate
InChI:
InChI=1S/C5H7Cl4NO4S/c6-5(7,8)3-14-4(11)10-1-2-15(9,12)13/h1-3H2,(H,10,11)
InChI Key:
MRKQRTIKGGBQNX-UHFFFAOYSA-N
SMILES:
O=C(OCC(Cl)(Cl)Cl)NCCS(=O)(=O)Cl
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.882g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.974g/mol
Monoisotopic Mass:
316.885g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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