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1198794-20-5 | 2-[(4-Trifluoromethyl)phenyl]isonicotinaldehyde
CAS No: 1198794-20-5 Catalog No: AG01F9QH MDL No:
Product Description
Catalog Number:
AG01F9QH
Chemical Name:
2-[(4-Trifluoromethyl)phenyl]isonicotinaldehyde
CAS Number:
1198794-20-5
Molecular Formula:
C13H8F3NO
Molecular Weight:
251.2039
IUPAC Name:
2-[4-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
InChI:
InChI=1S/C13H8F3NO/c14-13(15,16)11-3-1-10(2-4-11)12-7-9(8-18)5-6-17-12/h1-8H
InChI Key:
BIFMXJAOKTZHSA-UHFFFAOYSA-N
SMILES:
O=Cc1ccnc(c1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
285
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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