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884-30-0 | 2,6-Bis(trifluoromethyl);pyrimidin-4-ol
CAS No: 884-30-0 Catalog No: AG004HN0 MDL No:MFCD08436595
Product Description
Catalog Number:
AG004HN0
Chemical Name:
2,6-Bis(trifluoromethyl);pyrimidin-4-ol
CAS Number:
884-30-0
Molecular Formula:
C6H2F6N2O
Molecular Weight:
232.0833
MDL Number:
MFCD08436595
IUPAC Name:
2,4-bis(trifluoromethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C6H2F6N2O/c7-5(8,9)2-1-3(15)14-4(13-2)6(10,11)12/h1H,(H,13,14,15)
InChI Key:
CQGVQUGHJJPUPQ-UHFFFAOYSA-N
SMILES:
Oc1cc(nc(n1)C(F)(F)F)C(F)(F)F
NSC Number:
53129
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.085g/mol
Monoisotopic Mass:
232.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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