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1443351-62-9

1443351-62-9 | 3-Fluoro-4-[(n-hexyloxy)methyl]thiophenol

CAS No: 1443351-62-9 Catalog No: AG01FBP1 MDL No:

Product Description

Catalog Number:
AG01FBP1
Chemical Name:
3-Fluoro-4-[(n-hexyloxy)methyl]thiophenol
CAS Number:
1443351-62-9
Molecular Formula:
C13H19FOS
Molecular Weight:
242.3528
IUPAC Name:
3-fluoro-4-(hexoxymethyl)benzenethiol
InChI:
InChI=1S/C13H19FOS/c1-2-3-4-5-8-15-10-11-6-7-12(16)9-13(11)14/h6-7,9,16H,2-5,8,10H2,1H3
InChI Key:
CTUGGNPKWZXCMG-UHFFFAOYSA-N
SMILES:
CCCCCCOCc1ccc(cc1F)S

Properties

Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.114g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.352g/mol
Monoisotopic Mass:
242.114g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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