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1443345-89-8 | 3-Fluoro-4-[(1-piperidino)methyl]benzaldehyde
CAS No: 1443345-89-8 Catalog No: AG01FAFF MDL No:
Product Description
Catalog Number:
AG01FAFF
Chemical Name:
3-Fluoro-4-[(1-piperidino)methyl]benzaldehyde
CAS Number:
1443345-89-8
Molecular Formula:
C13H16FNO
Molecular Weight:
221.2706
IUPAC Name:
3-fluoro-4-(piperidin-1-ylmethyl)benzaldehyde
InChI:
InChI=1S/C13H16FNO/c14-13-8-11(10-16)4-5-12(13)9-15-6-2-1-3-7-15/h4-5,8,10H,1-3,6-7,9H2
InChI Key:
LKHJLSDVDGKFHF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)F)CN1CCCCC1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.275g/mol
Monoisotopic Mass:
221.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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