Home Sulfos 3-chloro-5-(chlorosulfonyl)-2-methylbenzoic acid

3-chloro-5-(chlorosulfonyl)-2-methylbenzoic acid

CAS No.:
1702890-75-2
Catalog Number:
AG01BFVC
Molecular Formula:
C8H6Cl2O4S
Molecular Weight:
269.1018
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Product Description
Catalog Number:
AG01BFVC
Chemical Name:
3-chloro-5-(chlorosulfonyl)-2-methylbenzoic acid
CAS Number:
1702890-75-2
Molecular Formula:
C8H6Cl2O4S
Molecular Weight:
269.1018
MDL Number:
MFCD28145222
IUPAC Name:
3-chloro-5-chlorosulfonyl-2-methylbenzoic acid
InChI:
InChI=1S/C8H6Cl2O4S/c1-4-6(8(11)12)2-5(3-7(4)9)15(10,13)14/h2-3H,1H3,(H,11,12)
InChI Key:
JIHWMANJZOWREK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1C)Cl)S(=O)(=O)Cl
Properties
Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.936g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.092g/mol
Monoisotopic Mass:
267.936g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties