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Home > Aldehydes > 1401165-65-8
1401165-65-8 | 2-Pyridinecarboxaldehyde, 6-[4-fluoro-3-(trifluoromethyl)phenyl]-
CAS No: 1401165-65-8 Catalog No: AG001C12 MDL No:
Product Description
Catalog Number:
AG001C12
Chemical Name:
2-Pyridinecarboxaldehyde, 6-[4-fluoro-3-(trifluoromethyl)phenyl]-
CAS Number:
1401165-65-8
Molecular Formula:
C13H7F4NO
Molecular Weight:
269.1944
IUPAC Name:
6-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
InChI:
InChI=1S/C13H7F4NO/c14-11-5-4-8(6-10(11)13(15,16)17)12-3-1-2-9(7-19)18-12/h1-7H
InChI Key:
QKVUHKJGSXEFQN-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(n1)c1ccc(c(c1)C(F)(F)F)F
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.199g/mol
Monoisotopic Mass:
269.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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