Home Sulfos Benzoic acid, 2-(chlorosulfonyl)-, ethyl ester (9CI)

Benzoic acid, 2-(chlorosulfonyl)-, ethyl ester (9CI)

CAS No.:
103008-54-4
Catalog Number:
AG009KJ0
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
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Product Description
Catalog Number:
AG009KJ0
Chemical Name:
Benzoic acid, 2-(chlorosulfonyl)-, ethyl ester (9CI)
CAS Number:
103008-54-4
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
MDL Number:
MFCD01961366
IUPAC Name:
ethyl 2-chlorosulfonylbenzoate
InChI:
InChI=1S/C9H9ClO4S/c1-2-14-9(11)7-5-3-4-6-8(7)15(10,12)13/h3-6H,2H2,1H3
InChI Key:
YYVLJSYHJIQREA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1S(=O)(=O)Cl
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.991g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.677g/mol
Monoisotopic Mass:
247.991g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties