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Home > Fluorides > 1443303-80-7
1443303-80-7 | 4-Fluoro-2-[(4-methyl-1-piperidino)methyl]thiophenol
CAS No: 1443303-80-7 Catalog No: AG01F8JI MDL No:
Product Description
Catalog Number:
AG01F8JI
Chemical Name:
4-Fluoro-2-[(4-methyl-1-piperidino)methyl]thiophenol
CAS Number:
1443303-80-7
Molecular Formula:
C13H18FNS
Molecular Weight:
239.3521
IUPAC Name:
4-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzenethiol
InChI:
InChI=1S/C13H18FNS/c1-10-4-6-15(7-5-10)9-11-8-12(14)2-3-13(11)16/h2-3,8,10,16H,4-7,9H2,1H3
InChI Key:
KYJCJEZBBQAJHD-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)Cc1cc(F)ccc1S
Properties
Complexity:
216
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:
3.3
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