Home Sulfos 4-Methanesulfonyl-3-methylbenzamide

4-Methanesulfonyl-3-methylbenzamide

CAS No.:
1820741-14-7
Catalog Number:
AG00I14L
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$438
- +
1g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG00I14L
Chemical Name:
4-Methanesulfonyl-3-methylbenzamide
CAS Number:
1820741-14-7
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
MDL Number:
MFCD27981302
IUPAC Name:
3-methyl-4-methylsulfonylbenzamide
InChI:
InChI=1S/C9H11NO3S/c1-6-5-7(9(10)11)3-4-8(6)14(2,12)13/h3-5H,1-2H3,(H2,10,11)
InChI Key:
WUSOVZAEZMISKT-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(c(c1)C)S(=O)(=O)C
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.046g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.251g/mol
Monoisotopic Mass:
213.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties