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1443302-64-4

1443302-64-4 | 3-Fluoro-4-[(2-methyl-1-piperidino)methyl]thiophenol

CAS No: 1443302-64-4 Catalog No: AG01F8JG MDL No:

Product Description

Catalog Number:
AG01F8JG
Chemical Name:
3-Fluoro-4-[(2-methyl-1-piperidino)methyl]thiophenol
CAS Number:
1443302-64-4
Molecular Formula:
C13H18FNS
Molecular Weight:
239.3521
IUPAC Name:
3-fluoro-4-[(2-methylpiperidin-1-yl)methyl]benzenethiol
InChI:
InChI=1S/C13H18FNS/c1-10-4-2-3-7-15(10)9-11-5-6-12(16)8-13(11)14/h5-6,8,10,16H,2-4,7,9H2,1H3
InChI Key:
LQKBVAGQPSSMKB-UHFFFAOYSA-N
SMILES:
Sc1ccc(c(c1)F)CN1CCCCC1C

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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