Home Sulfos (Chlorosulfonyl)carbaMic Acid Benzyl Ester

(Chlorosulfonyl)carbaMic Acid Benzyl Ester

CAS No.:
89979-13-5
Catalog Number:
AG00GWSW
Molecular Formula:
C8H8ClNO4S
Molecular Weight:
249.6714
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Product Description
Catalog Number:
AG00GWSW
Chemical Name:
(Chlorosulfonyl)carbaMic Acid Benzyl Ester
CAS Number:
89979-13-5
Molecular Formula:
C8H8ClNO4S
Molecular Weight:
249.6714
MDL Number:
MFCD19200062
IUPAC Name:
benzyl N-chlorosulfonylcarbamate
InChI:
InChI=1S/C8H8ClNO4S/c9-15(12,13)10-8(11)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)
InChI Key:
BCSYQDOKTDVISP-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)Cl)OCc1ccccc1
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.986g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.665g/mol
Monoisotopic Mass:
248.986g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties