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Home > Aldehydes > 1005189-47-8
1005189-47-8 | 4-[(4-Trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CAS No: 1005189-47-8 Catalog No: AG01F8DS MDL No:
Product Description
Catalog Number:
AG01F8DS
Chemical Name:
4-[(4-Trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CAS Number:
1005189-47-8
Molecular Formula:
C13H8F3NO
Molecular Weight:
251.2039
IUPAC Name:
4-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
InChI:
InChI=1S/C13H8F3NO/c14-13(15,16)11-3-1-9(2-4-11)10-5-6-17-12(7-10)8-18/h1-8H
InChI Key:
GDRJYEBPMRRWDY-UHFFFAOYSA-N
SMILES:
O=Cc1nccc(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:
3.2
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