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60811-23-6 | 3-CHLORO-4-FLUOROTHIOPHENOL
CAS No: 60811-23-6 Catalog No: AG003J85 MDL No:MFCD00052938
Product Description
Catalog Number:
AG003J85
Chemical Name:
3-CHLORO-4-FLUOROTHIOPHENOL
CAS Number:
60811-23-6
Molecular Formula:
C6H4ClFS
Molecular Weight:
162.6124
MDL Number:
MFCD00052938
IUPAC Name:
3-chloro-4-fluorobenzenethiol
InChI:
InChI=1S/C6H4ClFS/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
InChI Key:
SFSHSIFYTWIGSF-UHFFFAOYSA-N
SMILES:
Sc1ccc(c(c1)Cl)F
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.971g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.606g/mol
Monoisotopic Mass:
161.971g/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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