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1208077-95-5 | 2-Chloro-4,5-difluorobenzenethiol
CAS No: 1208077-95-5 Catalog No: AG01FEBN MDL No:MFCD12026224
Product Description
Catalog Number:
AG01FEBN
Chemical Name:
2-Chloro-4,5-difluorobenzenethiol
CAS Number:
1208077-95-5
Molecular Formula:
C6H3ClF2S
Molecular Weight:
180.6028
MDL Number:
MFCD12026224
IUPAC Name:
2-chloro-4,5-difluorobenzenethiol
InChI:
InChI=1S/C6H3ClF2S/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10H
InChI Key:
CYHMQJPCIHHCSQ-UHFFFAOYSA-N
SMILES:
Fc1cc(Cl)c(cc1F)S
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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