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1242904-51-3 | 3-({4-Hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}methyl)-4-methoxybenzaldehyde
CAS No: 1242904-51-3 Catalog No: AG01EGTL MDL No:
Product Description
Catalog Number:
AG01EGTL
Chemical Name:
3-({4-Hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}methyl)-4-methoxybenzaldehyde
CAS Number:
1242904-51-3
IUPAC Name:
3-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde
InChI:
InChI=1S/C21H22F3NO3/c1-28-19-6-5-15(14-26)11-16(19)13-25-9-7-20(27,8-10-25)17-3-2-4-18(12-17)21(22,23)24/h2-6,11-12,14,27H,7-10,13H2,1H3
InChI Key:
YVIVYJPPKAXAFU-UHFFFAOYSA-N
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.155g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.406g/mol
Monoisotopic Mass:
393.155g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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