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Home > Aldehydes > 886501-18-4
886501-18-4 | 4-Piperidin-1-yl-3-trifluoromethyl-benzaldehyde
CAS No: 886501-18-4 Catalog No: AG01EYEL MDL No:
Product Description
Catalog Number:
AG01EYEL
Chemical Name:
4-Piperidin-1-yl-3-trifluoromethyl-benzaldehyde
CAS Number:
886501-18-4
Molecular Formula:
C13H14F3NO
Molecular Weight:
257.2516
IUPAC Name:
4-piperidin-1-yl-3-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C13H14F3NO/c14-13(15,16)11-8-10(9-18)4-5-12(11)17-6-2-1-3-7-17/h4-5,8-9H,1-3,6-7H2
InChI Key:
VRESGPVCUVJCSX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C(F)(F)F)N1CCCCC1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.256g/mol
Monoisotopic Mass:
257.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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