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2836-44-4 | 2-Methyl-6-(trifluoromethyl);pyrimidin-4-ol
CAS No: 2836-44-4 Catalog No: AG003LHH MDL No:MFCD03265321
Product Description
Catalog Number:
AG003LHH
Chemical Name:
2-Methyl-6-(trifluoromethyl);pyrimidin-4-ol
CAS Number:
2836-44-4
Molecular Formula:
C6H5F3N2O
Molecular Weight:
178.1119
MDL Number:
MFCD03265321
IUPAC Name:
2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C6H5F3N2O/c1-3-10-4(6(7,8)9)2-5(12)11-3/h2H,1H3,(H,10,11,12)
InChI Key:
DBDRDWKBAGNHHS-UHFFFAOYSA-N
SMILES:
FC(c1[nH]c(C)nc(=O)c1)(F)F
NSC Number:
33044
Properties
Complexity:
277
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:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.114g/mol
Monoisotopic Mass:
178.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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