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1443326-28-0 | 3,5-Dimethyl-4-fluorothiophenol
CAS No: 1443326-28-0 Catalog No: AG01FEWY MDL No:
Product Description
Catalog Number:
AG01FEWY
Chemical Name:
3,5-Dimethyl-4-fluorothiophenol
CAS Number:
1443326-28-0
Molecular Formula:
C8H9FS
Molecular Weight:
156.2205
IUPAC Name:
4-fluoro-3,5-dimethylbenzenethiol
InChI:
InChI=1S/C8H9FS/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
InChI Key:
LXTXFUXEFFNJHF-UHFFFAOYSA-N
SMILES:
Sc1cc(C)c(c(c1)C)F
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.041g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.218g/mol
Monoisotopic Mass:
156.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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