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Home > Fluorides > 1267104-49-3
1267104-49-3 | 2-(3-Fluoro-4-methoxyphenyl)ethanethiol
CAS No: 1267104-49-3 Catalog No: AG01FC9W MDL No:
Product Description
Catalog Number:
AG01FC9W
Chemical Name:
2-(3-Fluoro-4-methoxyphenyl)ethanethiol
CAS Number:
1267104-49-3
Molecular Formula:
C9H11FOS
Molecular Weight:
186.2464
IUPAC Name:
2-(3-fluoro-4-methoxyphenyl)ethanethiol
InChI:
InChI=1S/C9H11FOS/c1-11-9-3-2-7(4-5-12)6-8(9)10/h2-3,6,12H,4-5H2,1H3
InChI Key:
XSWUHZCVKGDGFL-UHFFFAOYSA-N
SMILES:
SCCc1ccc(c(c1)F)OC
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.244g/mol
Monoisotopic Mass:
186.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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