Home Sulfos 4-(chlorosulfonyl)-2-methylbenzoic acid

4-(chlorosulfonyl)-2-methylbenzoic acid

CAS No.:
89938-64-7
Catalog Number:
AG01ADR2
Molecular Formula:
C8H7ClO4S
Molecular Weight:
234.6568
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Product Description
Catalog Number:
AG01ADR2
Chemical Name:
4-(chlorosulfonyl)-2-methylbenzoic acid
CAS Number:
89938-64-7
Molecular Formula:
C8H7ClO4S
Molecular Weight:
234.6568
IUPAC Name:
4-chlorosulfonyl-2-methylbenzoic acid
InChI:
InChI=1S/C8H7ClO4S/c1-5-4-6(14(9,12)13)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
LJYWJTOQXXHMCZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1C)S(=O)(=O)Cl
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.975g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.65g/mol
Monoisotopic Mass:
233.975g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties