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Home > Fluorides > 1240594-67-5
1240594-67-5 | 2-Pyrimidinemethanol, 4-(trifluoromethyl)-
CAS No: 1240594-67-5 Catalog No: AG000LHB MDL No:MFCD16987898
Product Description
Catalog Number:
AG000LHB
Chemical Name:
2-Pyrimidinemethanol, 4-(trifluoromethyl)-
CAS Number:
1240594-67-5
Molecular Formula:
C6H5F3N2O
Molecular Weight:
178.1119
MDL Number:
MFCD16987898
IUPAC Name:
[4-(trifluoromethyl)pyrimidin-2-yl]methanol
InChI:
InChI=1S/C6H5F3N2O/c7-6(8,9)4-1-2-10-5(3-12)11-4/h1-2,12H,3H2
InChI Key:
UAUKCOHAEJTUND-UHFFFAOYSA-N
SMILES:
OCc1nccc(n1)C(F)(F)F
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.114g/mol
Monoisotopic Mass:
178.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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