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608515-90-8 | (2-(Trifluoromethyl)pyrimidin-5-yl)methanol
CAS No: 608515-90-8 Catalog No: AG0036ZY MDL No:MFCD09863203
Product Description
Catalog Number:
AG0036ZY
Chemical Name:
(2-(Trifluoromethyl)pyrimidin-5-yl)methanol
CAS Number:
608515-90-8
Molecular Formula:
C6H5F3N2O
Molecular Weight:
178.1119
MDL Number:
MFCD09863203
IUPAC Name:
[2-(trifluoromethyl)pyrimidin-5-yl]methanol
InChI:
InChI=1S/C6H5F3N2O/c7-6(8,9)5-10-1-4(3-12)2-11-5/h1-2,12H,3H2
InChI Key:
OXTLPDJYINUPDW-UHFFFAOYSA-N
SMILES:
OCc1cnc(nc1)C(F)(F)F
Properties
Complexity:
142
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:
0.2
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