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306960-77-0 | 5-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-
CAS No: 306960-77-0 Catalog No: AG0030YP MDL No:MFCD09054851
Product Description
Catalog Number:
AG0030YP
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-
CAS Number:
306960-77-0
Molecular Formula:
C6H3F3N2O2
Molecular Weight:
192.0954
MDL Number:
MFCD09054851
IUPAC Name:
2-(trifluoromethyl)pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C6H3F3N2O2/c7-6(8,9)5-10-1-3(2-11-5)4(12)13/h1-2H,(H,12,13)
InChI Key:
RGLZXVNOHDUMRJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(nc1)C(F)(F)F
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.097g/mol
Monoisotopic Mass:
192.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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