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1379291-76-5 | 3-Ethoxy-4-fluorothiophenol
CAS No: 1379291-76-5 Catalog No: AG01FFEA MDL No:
Product Description
Catalog Number:
AG01FFEA
Chemical Name:
3-Ethoxy-4-fluorothiophenol
CAS Number:
1379291-76-5
Molecular Formula:
C8H9FOS
Molecular Weight:
172.2199
IUPAC Name:
3-ethoxy-4-fluorobenzenethiol
InChI:
InChI=1S/C8H9FOS/c1-2-10-8-5-6(11)3-4-7(8)9/h3-5,11H,2H2,1H3
InChI Key:
XYAHMGVHHNDXTD-UHFFFAOYSA-N
SMILES:
CCOc1cc(S)ccc1F
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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