[4-(Trifluoromethyl)pyrimidin-2-yl]methanol


Chemical Name: [4-(Trifluoromethyl)pyrimidin-2-yl]methanol
CAS Number: 1240594-67-5
Product Number: AG000LHB(AGN-PC-0WAJST)
Synonyms:
MDL No:
Molecular Formula: C6H5F3N2O
Molecular Weight: 178.1119

Identification/Properties


Computed Properties
Molecular Weight:
178.114g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
178.035g/mol
Monoisotopic Mass:
178.035g/mol
Topological Polar Surface Area:
46A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
150
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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