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1260902-01-9 | 5-Pyrimidinecarboxylic acid, 6-(difluoromethyl)-1,2-dihydro-2-oxo-
CAS No: 1260902-01-9 Catalog No: AG000RL7 MDL No:
Product Description
Catalog Number:
AG000RL7
Chemical Name:
5-Pyrimidinecarboxylic acid, 6-(difluoromethyl)-1,2-dihydro-2-oxo-
CAS Number:
1260902-01-9
Molecular Formula:
C6H4F2N2O3
Molecular Weight:
190.1044
IUPAC Name:
6-(difluoromethyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C6H4F2N2O3/c7-4(8)3-2(5(11)12)1-9-6(13)10-3/h1,4H,(H,11,12)(H,9,10,13)
InChI Key:
MGSVVLOYKLDYKS-UHFFFAOYSA-N
SMILES:
FC(c1[nH]c(=O)ncc1C(=O)O)F
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.019g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.106g/mol
Monoisotopic Mass:
190.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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