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Home > Fluorides > 1443309-32-7
1443309-32-7 | 4-Fluoro-2-[(1-homopiperidino)methyl]thiophenol
CAS No: 1443309-32-7 Catalog No: AG01F9V9 MDL No:
Product Description
Catalog Number:
AG01F9V9
Chemical Name:
4-Fluoro-2-[(1-homopiperidino)methyl]thiophenol
CAS Number:
1443309-32-7
Molecular Formula:
C13H18FNS
Molecular Weight:
239.3521
IUPAC Name:
2-(azepan-1-ylmethyl)-4-fluorobenzenethiol
InChI:
InChI=1S/C13H18FNS/c14-12-5-6-13(16)11(9-12)10-15-7-3-1-2-4-8-15/h5-6,9,16H,1-4,7-8,10H2
InChI Key:
RLWSDCHBGDKGOA-UHFFFAOYSA-N
SMILES:
Sc1ccc(cc1CN1CCCCCC1)F
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.114g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.352g/mol
Monoisotopic Mass:
239.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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