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Home > Aldehydes > 847446-85-9
847446-85-9 | Benzaldehyde,4-[3-(trifluoromethyl)-2-pyridinyl]-
CAS No: 847446-85-9 Catalog No: AG004YDO MDL No:MFCD10758064
Product Description
Catalog Number:
AG004YDO
Chemical Name:
Benzaldehyde,4-[3-(trifluoromethyl)-2-pyridinyl]-
CAS Number:
847446-85-9
Molecular Formula:
C13H8F3NO
Molecular Weight:
251.2039
MDL Number:
MFCD10758064
IUPAC Name:
4-[3-(trifluoromethyl)pyridin-2-yl]benzaldehyde
InChI:
InChI=1S/C13H8F3NO/c14-13(15,16)11-2-1-7-17-12(11)10-5-3-9(8-18)4-6-10/h1-8H
InChI Key:
NBWILOUASOAOPH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1ncccc1C(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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