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Home > Fluorides > 100991-09-1
100991-09-1 | 5-Pyrimidinol, 2-(trifluoromethyl)-
CAS No: 100991-09-1 Catalog No: AG0003E3 MDL No:MFCD10696944
Product Description
Catalog Number:
AG0003E3
Chemical Name:
5-Pyrimidinol, 2-(trifluoromethyl)-
CAS Number:
100991-09-1
Molecular Formula:
C5H3F3N2O
Molecular Weight:
164.0853
MDL Number:
MFCD10696944
IUPAC Name:
2-(trifluoromethyl)pyrimidin-5-ol
InChI:
InChI=1S/C5H3F3N2O/c6-5(7,8)4-9-1-3(11)2-10-4/h1-2,11H
InChI Key:
QPAXXIOBBIIATH-UHFFFAOYSA-N
SMILES:
FC(c1ncc(cn1)O)(F)F
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.087g/mol
Monoisotopic Mass:
164.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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