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685892-14-2 | 3-Fluorophenylthioethanol
CAS No: 685892-14-2 Catalog No: AG01EWYF MDL No:MFCD03789133
Product Description
Catalog Number:
AG01EWYF
Chemical Name:
3-Fluorophenylthioethanol
CAS Number:
685892-14-2
Molecular Formula:
C8H9FOS
Molecular Weight:
172.2199
MDL Number:
MFCD03789133
IUPAC Name:
2-(3-fluorophenyl)sulfanylethanol
InChI:
InChI=1S/C8H9FOS/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6,10H,4-5H2
InChI Key:
DEPCYGQRHGQQEU-UHFFFAOYSA-N
SMILES:
OCCSc1cccc(c1)F
Properties
Complexity:
110
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:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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