Home Sulfos Benzoic acid,5-(chlorosulfonyl)-2,3-dimethoxy-

Benzoic acid,5-(chlorosulfonyl)-2,3-dimethoxy-

CAS No.:
74651-62-0
Catalog Number:
AG005AE5
Molecular Formula:
C9H9ClO6S
Molecular Weight:
280.6822
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Product Description
Catalog Number:
AG005AE5
Chemical Name:
Benzoic acid,5-(chlorosulfonyl)-2,3-dimethoxy-
CAS Number:
74651-62-0
Molecular Formula:
C9H9ClO6S
Molecular Weight:
280.6822
MDL Number:
MFCD09048188
IUPAC Name:
5-chlorosulfonyl-2,3-dimethoxybenzoic acid
InChI:
InChI=1S/C9H9ClO6S/c1-15-7-4-5(17(10,13)14)3-6(9(11)12)8(7)16-2/h3-4H,1-2H3,(H,11,12)
InChI Key:
TWHADRKVBHEANG-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1C(=O)O)S(=O)(=O)Cl
EC Number:
277-944-7
Properties
Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.981g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
280.675g/mol
Monoisotopic Mass:
279.981g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties