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Home > Fluorides > 1379322-17-4
1379322-17-4 | 3-n-Butoxy-4,5-difluorothiophenol
CAS No: 1379322-17-4 Catalog No: AG01FEF7 MDL No:
Product Description
Catalog Number:
AG01FEF7
Chemical Name:
3-n-Butoxy-4,5-difluorothiophenol
CAS Number:
1379322-17-4
Molecular Formula:
C10H12F2OS
Molecular Weight:
218.2635
IUPAC Name:
3-butoxy-4,5-difluorobenzenethiol
InChI:
InChI=1S/C10H12F2OS/c1-2-3-4-13-9-6-7(14)5-8(11)10(9)12/h5-6,14H,2-4H2,1H3
InChI Key:
GZNALVANBNUOSD-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(S)cc(c1F)F
Properties
Complexity:
168
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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