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91606-60-9 | 4-Methyl-6-(trifluoromethyl);pyrimidin-2(1H);-one
CAS No: 91606-60-9 Catalog No: AG006FSM MDL No:MFCD06617941
Product Description
Catalog Number:
AG006FSM
Chemical Name:
4-Methyl-6-(trifluoromethyl);pyrimidin-2(1H);-one
CAS Number:
91606-60-9
Molecular Formula:
C6H5F3N2O
Molecular Weight:
178.1119
MDL Number:
MFCD06617941
IUPAC Name:
6-methyl-4-(trifluoromethyl)-1H-pyrimidin-2-one
InChI:
InChI=1S/C6H5F3N2O/c1-3-2-4(6(7,8)9)11-5(12)10-3/h2H,1H3,(H,10,11,12)
InChI Key:
JOJJVSVFFPOKMJ-UHFFFAOYSA-N
SMILES:
FC(c1cc(C)nc(=O)[nH]1)(F)F
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:
4
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:
1.1
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