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1086379-00-1 | 3-{[2-(Trifluoromethyl)pyrimidin-4-yl]oxy}benzaldehyde
CAS No: 1086379-00-1 Catalog No: AG01F7VX MDL No:
Product Description
Catalog Number:
AG01F7VX
Chemical Name:
3-{[2-(Trifluoromethyl)pyrimidin-4-yl]oxy}benzaldehyde
CAS Number:
1086379-00-1
Molecular Formula:
C12H7F3N2O2
Molecular Weight:
268.1914
IUPAC Name:
3-[2-(trifluoromethyl)pyrimidin-4-yl]oxybenzaldehyde
InChI:
InChI=1S/C12H7F3N2O2/c13-12(14,15)11-16-5-4-10(17-11)19-9-3-1-2-8(6-9)7-18/h1-7H
InChI Key:
SWMBAPIAQNNOCF-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)Oc1ccnc(n1)C(F)(F)F
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.195g/mol
Monoisotopic Mass:
268.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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