Home Sulfos Benzoic acid, 5-(chlorosulfonyl)-2-ethoxy-

Benzoic acid, 5-(chlorosulfonyl)-2-ethoxy-

CAS No.:
200575-16-2
Catalog Number:
AG002CUF
Molecular Formula:
C9H9ClO5S
Molecular Weight:
264.6828
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Product Description
Catalog Number:
AG002CUF
Chemical Name:
Benzoic acid, 5-(chlorosulfonyl)-2-ethoxy-
CAS Number:
200575-16-2
Molecular Formula:
C9H9ClO5S
Molecular Weight:
264.6828
MDL Number:
MFCD09701452
IUPAC Name:
5-chlorosulfonyl-2-ethoxybenzoic acid
InChI:
InChI=1S/C9H9ClO5S/c1-2-15-8-4-3-6(16(10,13)14)5-7(8)9(11)12/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
UHNRCKXZRULNSC-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C(=O)O)S(=O)(=O)Cl
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.986g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
264.676g/mol
Monoisotopic Mass:
263.986g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties