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1314902-62-9 | 2-(4-Chloro-3-fluorophenyl)ethanethiol
CAS No: 1314902-62-9 Catalog No: AG01FCM7 MDL No:
Product Description
Catalog Number:
AG01FCM7
Chemical Name:
2-(4-Chloro-3-fluorophenyl)ethanethiol
CAS Number:
1314902-62-9
Molecular Formula:
C8H8ClFS
Molecular Weight:
190.6655
IUPAC Name:
2-(4-chloro-3-fluorophenyl)ethanethiol
InChI:
InChI=1S/C8H8ClFS/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5,11H,3-4H2
InChI Key:
SDAKXQWQRNIQSX-UHFFFAOYSA-N
SMILES:
SCCc1ccc(c(c1)F)Cl
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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