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1207891-59-5

1207891-59-5 | 2-Ethoxy-4-fluorothiophenol

CAS No: 1207891-59-5 Catalog No: AG01FFD8 MDL No:

Product Description

Catalog Number:
AG01FFD8
Chemical Name:
2-Ethoxy-4-fluorothiophenol
CAS Number:
1207891-59-5
Molecular Formula:
C8H9FOS
Molecular Weight:
172.2199
IUPAC Name:
2-ethoxy-4-fluorobenzenethiol
InChI:
InChI=1S/C8H9FOS/c1-2-10-7-5-6(9)3-4-8(7)11/h3-5,11H,2H2,1H3
InChI Key:
KCRAPSCNOAISIN-UHFFFAOYSA-N
SMILES:
CCOc1cc(F)ccc1S

Properties

Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.036g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.217g/mol
Monoisotopic Mass:
172.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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