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1379324-43-2 | 4-Pyrimidinecarboxylic acid, 5-amino-2-(methylsulfonyl)-
CAS No: 1379324-43-2 Catalog No: AG00145F MDL No:
Product Description
Catalog Number:
AG00145F
Chemical Name:
4-Pyrimidinecarboxylic acid, 5-amino-2-(methylsulfonyl)-
CAS Number:
1379324-43-2
Molecular Formula:
C6H7N3O4S
Molecular Weight:
217.2025
IUPAC Name:
5-amino-2-methylsulfonylpyrimidine-4-carboxylic acid
InChI:
InChI=1S/C6H7N3O4S/c1-14(12,13)6-8-2-3(7)4(9-6)5(10)11/h2H,7H2,1H3,(H,10,11)
InChI Key:
SCLMELNCSVQSCK-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(ncc1N)S(=O)(=O)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.016g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.199g/mol
Monoisotopic Mass:
217.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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