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1443312-29-5 | 4-Fluoro-2-[(4-methyl-1-piperidino)methyl]benzaldehyde
CAS No: 1443312-29-5 Catalog No: AG01F81F MDL No:
Product Description
Catalog Number:
AG01F81F
Chemical Name:
4-Fluoro-2-[(4-methyl-1-piperidino)methyl]benzaldehyde
CAS Number:
1443312-29-5
Molecular Formula:
C14H18FNO
Molecular Weight:
235.2972
IUPAC Name:
4-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzaldehyde
InChI:
InChI=1S/C14H18FNO/c1-11-4-6-16(7-5-11)9-13-8-14(15)3-2-12(13)10-17/h2-3,8,10-11H,4-7,9H2,1H3
InChI Key:
ZHZMMFAAFAWXMO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1CN1CCC(CC1)C)F
Properties
Complexity:
251
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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