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1208078-21-0 | 3-Chloro-2,4-difluorothiophenol
CAS No: 1208078-21-0 Catalog No: AG01FEU4 MDL No:MFCD12922566
Product Description
Catalog Number:
AG01FEU4
Chemical Name:
3-Chloro-2,4-difluorothiophenol
CAS Number:
1208078-21-0
Molecular Formula:
C6H3ClF2S
Molecular Weight:
180.6028
MDL Number:
MFCD12922566
IUPAC Name:
3-chloro-2,4-difluorobenzenethiol
InChI:
InChI=1S/C6H3ClF2S/c7-5-3(8)1-2-4(10)6(5)9/h1-2,10H
InChI Key:
CREWKBWGFPNBTB-UHFFFAOYSA-N
SMILES:
Sc1ccc(c(c1F)Cl)F
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.961g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.597g/mol
Monoisotopic Mass:
179.961g/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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