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38492-86-3 | 2,6-bis(4-(trifluoromethyl)phenyl)isonicotinaldehyde
CAS No: 38492-86-3 Catalog No: AG01DG5V MDL No:MFCD18418677
Product Description
Catalog Number:
AG01DG5V
Chemical Name:
2,6-bis(4-(trifluoromethyl)phenyl)isonicotinaldehyde
CAS Number:
38492-86-3
Molecular Formula:
C20H11F6NO
Molecular Weight:
395.2979
MDL Number:
MFCD18418677
IUPAC Name:
2,6-bis[4-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
InChI:
InChI=1S/C20H11F6NO/c21-19(22,23)15-5-1-13(2-6-15)17-9-12(11-28)10-18(27-17)14-3-7-16(8-4-14)20(24,25)26/h1-11H
InChI Key:
YPWCKXYTSGOIRN-UHFFFAOYSA-N
SMILES:
O=Cc1cc(nc(c1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.074g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.304g/mol
Monoisotopic Mass:
395.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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