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Home > Fluorides > 1379362-65-8
1379362-65-8 | 4-n-Butoxy-3,5-difluorothiophenol
CAS No: 1379362-65-8 Catalog No: AG01FEFE MDL No:
Product Description
Catalog Number:
AG01FEFE
Chemical Name:
4-n-Butoxy-3,5-difluorothiophenol
CAS Number:
1379362-65-8
Molecular Formula:
C10H12F2OS
Molecular Weight:
218.2635
IUPAC Name:
4-butoxy-3,5-difluorobenzenethiol
InChI:
InChI=1S/C10H12F2OS/c1-2-3-4-13-10-8(11)5-7(14)6-9(10)12/h5-6,14H,2-4H2,1H3
InChI Key:
HHDIEEFYYHVLPB-UHFFFAOYSA-N
SMILES:
CCCCOc1c(F)cc(cc1F)S
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.262g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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