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1314976-65-2 | 2-(3-Chloro-4-fluorophenyl)ethanethiol
CAS No: 1314976-65-2 Catalog No: AG01FCMP MDL No:
Product Description
Catalog Number:
AG01FCMP
Chemical Name:
2-(3-Chloro-4-fluorophenyl)ethanethiol
CAS Number:
1314976-65-2
Molecular Formula:
C8H8ClFS
Molecular Weight:
190.6655
IUPAC Name:
2-(3-chloro-4-fluorophenyl)ethanethiol
InChI:
InChI=1S/C8H8ClFS/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5,11H,3-4H2
InChI Key:
CZZNUCQUHKIAOH-UHFFFAOYSA-N
SMILES:
SCCc1ccc(c(c1)Cl)F
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.002g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.66g/mol
Monoisotopic Mass:
190.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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