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Home > Aldehydes > 898405-21-5
898405-21-5 | 6-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CAS No: 898405-21-5 Catalog No: AG01DD2N MDL No:MFCD04115429
Product Description
Catalog Number:
AG01DD2N
Chemical Name:
6-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CAS Number:
898405-21-5
Molecular Formula:
C13H8F3NO
Molecular Weight:
251.2039
MDL Number:
MFCD04115429
IUPAC Name:
6-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
InChI:
InChI=1S/C13H8F3NO/c14-13(15,16)11-3-1-2-10(6-11)12-5-4-9(8-18)7-17-12/h1-8H
InChI Key:
AHCRWZXATBSDGO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(nc1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.208g/mol
Monoisotopic Mass:
251.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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