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1333222-31-3 | 2-Pyrimidinemethanol, 4-(trifluoromethyl)-, 2-acetate
CAS No: 1333222-31-3 Catalog No: AG0014N0 MDL No:
Product Description
Catalog Number:
AG0014N0
Chemical Name:
2-Pyrimidinemethanol, 4-(trifluoromethyl)-, 2-acetate
CAS Number:
1333222-31-3
Molecular Formula:
C8H7F3N2O2
Molecular Weight:
220.1486
IUPAC Name:
[4-(trifluoromethyl)pyrimidin-2-yl]methyl acetate
InChI:
InChI=1S/C8H7F3N2O2/c1-5(14)15-4-7-12-3-2-6(13-7)8(9,10)11/h2-3H,4H2,1H3
InChI Key:
OTWRUQYRTHGHCF-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1nccc(n1)C(F)(F)F
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.151g/mol
Monoisotopic Mass:
220.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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