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Home > Fluorides > 1269291-91-9
1269291-91-9 | Pyrimidine, 4-(3-pyridinyl)-2-(trifluoromethyl)-
CAS No: 1269291-91-9 Catalog No: AG000TIR MDL No:MFCD20275514
Product Description
Catalog Number:
AG000TIR
Chemical Name:
Pyrimidine, 4-(3-pyridinyl)-2-(trifluoromethyl)-
CAS Number:
1269291-91-9
Molecular Formula:
C10H6F3N3
Molecular Weight:
225.1699
MDL Number:
MFCD20275514
IUPAC Name:
4-pyridin-3-yl-2-(trifluoromethyl)pyrimidine
InChI:
InChI=1S/C10H6F3N3/c11-10(12,13)9-15-5-3-8(16-9)7-2-1-4-14-6-7/h1-6H
InChI Key:
ROJCVANPLRZNQP-UHFFFAOYSA-N
SMILES:
FC(c1nccc(n1)c1cccnc1)(F)F
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.174g/mol
Monoisotopic Mass:
225.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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