Home Sulfos 2-Chloro-4-(3-methylsulfonylphenyl)benzoic acid

2-Chloro-4-(3-methylsulfonylphenyl)benzoic acid

CAS No.:
1261913-06-7
Catalog Number:
AG000S51
Molecular Formula:
C14H11ClO4S
Molecular Weight:
310.7527
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$219
- +
1g
96%
In Stock USA
United States
$469
- +
Product Description
Catalog Number:
AG000S51
Chemical Name:
2-Chloro-4-(3-methylsulfonylphenyl)benzoic acid
CAS Number:
1261913-06-7
Molecular Formula:
C14H11ClO4S
Molecular Weight:
310.7527
MDL Number:
MFCD18322267
IUPAC Name:
2-chloro-4-(3-methylsulfonylphenyl)benzoic acid
InChI:
InChI=1S/C14H11ClO4S/c1-20(18,19)11-4-2-3-9(7-11)10-5-6-12(14(16)17)13(15)8-10/h2-8H,1H3,(H,16,17)
InChI Key:
IOCTYFOBLDXQDN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1Cl)c1cccc(c1)S(=O)(=O)C
Properties
Complexity:
456  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.007g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
310.748g/mol
Monoisotopic Mass:
310.007g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties