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1443305-78-9 | 4-Fluoro-2-[(3-methyl-1-piperidino)methyl]benzaldehyde
CAS No: 1443305-78-9 Catalog No: AG01F819 MDL No:
Product Description
Catalog Number:
AG01F819
Chemical Name:
4-Fluoro-2-[(3-methyl-1-piperidino)methyl]benzaldehyde
CAS Number:
1443305-78-9
Molecular Formula:
C14H18FNO
Molecular Weight:
235.2972
IUPAC Name:
4-fluoro-2-[(3-methylpiperidin-1-yl)methyl]benzaldehyde
InChI:
InChI=1S/C14H18FNO/c1-11-3-2-6-16(8-11)9-13-7-14(15)5-4-12(13)10-17/h4-5,7,10-11H,2-3,6,8-9H2,1H3
InChI Key:
VIPFRMZPZSPAMR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1CN1CCCC(C1)C)F
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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