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Home > Fluorides > 1379369-28-4
1379369-28-4 | 3-iso-Butoxy-4,5-difluorothiophenol
CAS No: 1379369-28-4 Catalog No: AG01FDWS MDL No:
Product Description
Catalog Number:
AG01FDWS
Chemical Name:
3-iso-Butoxy-4,5-difluorothiophenol
CAS Number:
1379369-28-4
Molecular Formula:
C10H12F2OS
Molecular Weight:
218.2635
IUPAC Name:
3,4-difluoro-5-(2-methylpropoxy)benzenethiol
InChI:
InChI=1S/C10H12F2OS/c1-6(2)5-13-9-4-7(14)3-8(11)10(9)12/h3-4,6,14H,5H2,1-2H3
InChI Key:
QUTYOQHETMVBMZ-UHFFFAOYSA-N
SMILES:
CC(COc1cc(S)cc(c1F)F)C
Properties
Complexity:
178
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:
3
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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