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1332599-96-8

1332599-96-8 | 1-Hexanol, 2-butyl-2-[[(4-fluorophenyl)thio]methyl]-

CAS No: 1332599-96-8 Catalog No: AG0014H4 MDL No:

Product Description

Catalog Number:
AG0014H4
Chemical Name:
1-Hexanol, 2-butyl-2-[[(4-fluorophenyl)thio]methyl]-
CAS Number:
1332599-96-8
Molecular Formula:
C17H27FOS
Molecular Weight:
298.4591
IUPAC Name:
2-butyl-2-[(4-fluorophenyl)sulfanylmethyl]hexan-1-ol
InChI:
InChI=1S/C17H27FOS/c1-3-5-11-17(13-19,12-6-4-2)14-20-16-9-7-15(18)8-10-16/h7-10,19H,3-6,11-14H2,1-2H3
InChI Key:
IMGBYUZGBHUMAE-UHFFFAOYSA-N
SMILES:
CCCCC(CSc1ccc(cc1)F)(CCCC)CO

Properties

Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.177g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
298.46g/mol
Monoisotopic Mass:
298.177g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9  

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