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Home > Fluorides > 1349715-94-1
1349715-94-1 | 3-Fluoro-4-ethoxybenzenethiol
CAS No: 1349715-94-1 Catalog No: AG01FF5W MDL No:MFCD14582813
Product Description
Catalog Number:
AG01FF5W
Chemical Name:
3-Fluoro-4-ethoxybenzenethiol
CAS Number:
1349715-94-1
Molecular Formula:
C8H9FOS
Molecular Weight:
172.2199
MDL Number:
MFCD14582813
IUPAC Name:
4-ethoxy-3-fluorobenzenethiol
InChI:
InChI=1S/C8H9FOS/c1-2-10-8-4-3-6(11)5-7(8)9/h3-5,11H,2H2,1H3
InChI Key:
FHTNZFITGQQIGU-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1F)S
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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