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Home > Fluorides > 1379248-99-3
1379248-99-3 | 5-Fluoro-3-n-propoxythiophenol
CAS No: 1379248-99-3 Catalog No: AG01FF1W MDL No:
Product Description
Catalog Number:
AG01FF1W
Chemical Name:
5-Fluoro-3-n-propoxythiophenol
CAS Number:
1379248-99-3
Molecular Formula:
C9H11FOS
Molecular Weight:
186.2464
IUPAC Name:
3-fluoro-5-propoxybenzenethiol
InChI:
InChI=1S/C9H11FOS/c1-2-3-11-8-4-7(10)5-9(12)6-8/h4-6,12H,2-3H2,1H3
InChI Key:
XNBCSAXHCLQDJL-UHFFFAOYSA-N
SMILES:
CCCOc1cc(F)cc(c1)S
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:
3
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