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Home > Fluorides > 1314911-09-5
1314911-09-5 | 2-(4-Fluoro-2-methoxyphenyl)ethanethiol
CAS No: 1314911-09-5 Catalog No: AG01FCB9 MDL No:
Product Description
Catalog Number:
AG01FCB9
Chemical Name:
2-(4-Fluoro-2-methoxyphenyl)ethanethiol
CAS Number:
1314911-09-5
Molecular Formula:
C9H11FOS
Molecular Weight:
186.2464
IUPAC Name:
2-(4-fluoro-2-methoxyphenyl)ethanethiol
InChI:
InChI=1S/C9H11FOS/c1-11-9-6-8(10)3-2-7(9)4-5-12/h2-3,6,12H,4-5H2,1H3
InChI Key:
PPKWRZKQXAIXHS-UHFFFAOYSA-N
SMILES:
SCCc1ccc(cc1OC)F
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:
2.7
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