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1443348-21-7 | 4-Fluoro-2-[(1-homopiperidino)methyl]benzaldehyde
CAS No: 1443348-21-7 Catalog No: AG01F9C8 MDL No:
Product Description
Catalog Number:
AG01F9C8
Chemical Name:
4-Fluoro-2-[(1-homopiperidino)methyl]benzaldehyde
CAS Number:
1443348-21-7
Molecular Formula:
C14H18FNO
Molecular Weight:
235.2972
IUPAC Name:
2-(azepan-1-ylmethyl)-4-fluorobenzaldehyde
InChI:
InChI=1S/C14H18FNO/c15-14-6-5-12(11-17)13(9-14)10-16-7-3-1-2-4-8-16/h5-6,9,11H,1-4,7-8,10H2
InChI Key:
JBCCFCPKWFJSIJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1CN1CCCCCC1)F
Properties
Complexity:
238
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:
2.5
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