Home Sulfos 4-Pyrimidinecarboxylic acid, 5-bromo-2-(methylsulfonyl)-

4-Pyrimidinecarboxylic acid, 5-bromo-2-(methylsulfonyl)-

CAS No.:
30321-94-9
Catalog Number:
AG002ZRS
Molecular Formula:
C6H5BrN2O4S
Molecular Weight:
281.0839
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002ZRS
Chemical Name:
4-Pyrimidinecarboxylic acid, 5-bromo-2-(methylsulfonyl)-
CAS Number:
30321-94-9
Molecular Formula:
C6H5BrN2O4S
Molecular Weight:
281.0839
MDL Number:
MFCD06742786
IUPAC Name:
5-bromo-2-methylsulfonylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C6H5BrN2O4S/c1-14(12,13)6-8-2-3(7)4(9-6)5(10)11/h2H,1H3,(H,10,11)
InChI Key:
UEYGRSDYBWXDKJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(ncc1Br)S(=O)(=O)C
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.915g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.08g/mol
Monoisotopic Mass:
279.915g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties