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Home Sulfos 2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid

2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid

CAS No.:
106904-09-0
Catalog Number:
AG0038Z2
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$173
- +
1g
95%
1 week
United States
$374
- +
Product Description
Catalog Number:
AG0038Z2
Chemical Name:
2-Chloro-3-methyl-4-(methylsulfonyl)benzoic acid
CAS Number:
106904-09-0
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
MDL Number:
MFCD28291815
IUPAC Name:
2-chloro-3-methyl-4-methylsulfonylbenzoic acid
InChI:
InChI=1S/C9H9ClO4S/c1-5-7(15(2,13)14)4-3-6(8(5)10)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
RRFGGUXLGOVPOP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1Cl)C)S(=O)(=O)C
EC Number:
600-786-0
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.991g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.677g/mol
Monoisotopic Mass:
247.991g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties