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Home > Fluorides > 1443337-03-8
1443337-03-8 | 3-Fluoro-4-[(3-methyl-1-piperidino)methyl]thiophenol
CAS No: 1443337-03-8 Catalog No: AG01F8K8 MDL No:
Product Description
Catalog Number:
AG01F8K8
Chemical Name:
3-Fluoro-4-[(3-methyl-1-piperidino)methyl]thiophenol
CAS Number:
1443337-03-8
Molecular Formula:
C13H18FNS
Molecular Weight:
239.3521
IUPAC Name:
3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]benzenethiol
InChI:
InChI=1S/C13H18FNS/c1-10-3-2-6-15(8-10)9-11-4-5-12(16)7-13(11)14/h4-5,7,10,16H,2-3,6,8-9H2,1H3
InChI Key:
MHEASCOVSLTCBY-UHFFFAOYSA-N
SMILES:
CC1CCCN(C1)Cc1ccc(cc1F)S
Properties
Complexity:
224
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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