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1443338-25-7 | 3-Fluoro-4-[(3-methyl-1-piperidino)methyl]benzaldehyde
CAS No: 1443338-25-7 Catalog No: AG01F81O MDL No:
Product Description
Catalog Number:
AG01F81O
Chemical Name:
3-Fluoro-4-[(3-methyl-1-piperidino)methyl]benzaldehyde
CAS Number:
1443338-25-7
Molecular Formula:
C14H18FNO
Molecular Weight:
235.2972
IUPAC Name:
3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]benzaldehyde
InChI:
InChI=1S/C14H18FNO/c1-11-3-2-6-16(8-11)9-13-5-4-12(10-17)7-14(13)15/h4-5,7,10-11H,2-3,6,8-9H2,1H3
InChI Key:
WWCPNWXQDYXWIN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)F)CN1CCCC(C1)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.302g/mol
Monoisotopic Mass:
235.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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