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1379355-84-6

1379355-84-6 | 2-n-Butoxy-4-fluorothiophenol

CAS No: 1379355-84-6 Catalog No: AG01FF6B MDL No:

Product Description

Catalog Number:
AG01FF6B
Chemical Name:
2-n-Butoxy-4-fluorothiophenol
CAS Number:
1379355-84-6
Molecular Formula:
C10H13FOS
Molecular Weight:
200.2730
IUPAC Name:
2-butoxy-4-fluorobenzenethiol
InChI:
InChI=1S/C10H13FOS/c1-2-3-6-12-9-7-8(11)4-5-10(9)13/h4-5,7,13H,2-3,6H2,1H3
InChI Key:
REOVORXPGCENGV-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(F)ccc1S

Properties

Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.067g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.271g/mol
Monoisotopic Mass:
200.067g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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