Home Sulfos 5-(3-Methylsulfonylphenyl)nicotinic acid

5-(3-Methylsulfonylphenyl)nicotinic acid

CAS No.:
1261973-40-3
Catalog Number:
AG000S9Z
Molecular Formula:
C13H11NO4S
Molecular Weight:
277.2957
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG000S9Z
Chemical Name:
5-(3-Methylsulfonylphenyl)nicotinic acid
CAS Number:
1261973-40-3
Molecular Formula:
C13H11NO4S
Molecular Weight:
277.2957
MDL Number:
MFCD18318293
IUPAC Name:
5-(3-methylsulfonylphenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H11NO4S/c1-19(17,18)12-4-2-3-9(6-12)10-5-11(13(15)16)8-14-7-10/h2-8H,1H3,(H,15,16)
InChI Key:
UKNZELWCEQXNDA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(c1)c1cccc(c1)S(=O)(=O)C
Properties
Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.041g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
277.294g/mol
Monoisotopic Mass:
277.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties