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Home > Fluorides > 1443355-31-4
1443355-31-4 | 3-Fluoro-4-[(1-piperidino)methyl]thiophenol
CAS No: 1443355-31-4 Catalog No: AG01FB29 MDL No:
Product Description
Catalog Number:
AG01FB29
Chemical Name:
3-Fluoro-4-[(1-piperidino)methyl]thiophenol
CAS Number:
1443355-31-4
Molecular Formula:
C12H16FNS
Molecular Weight:
225.3255
IUPAC Name:
3-fluoro-4-(piperidin-1-ylmethyl)benzenethiol
InChI:
InChI=1S/C12H16FNS/c13-12-8-11(15)5-4-10(12)9-14-6-2-1-3-7-14/h4-5,8,15H,1-3,6-7,9H2
InChI Key:
FGAMKTFVCNHTBF-UHFFFAOYSA-N
SMILES:
Sc1ccc(c(c1)F)CN1CCCCC1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.325g/mol
Monoisotopic Mass:
225.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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