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158898-57-8 | Benzenethiol, 2-amino-3,4,6-trifluoro-, hydrochloride (1:1)
CAS No: 158898-57-8 Catalog No: AG001QZN MDL No:
Product Description
Catalog Number:
AG001QZN
Chemical Name:
Benzenethiol, 2-amino-3,4,6-trifluoro-, hydrochloride (1:1)
CAS Number:
158898-57-8
Molecular Formula:
C6H5ClF3NS
Molecular Weight:
215.6238
IUPAC Name:
2-amino-3,4,6-trifluorobenzenethiol;hydrochloride
InChI:
InChI=1S/C6H4F3NS.ClH/c7-2-1-3(8)6(11)5(10)4(2)9;/h1,11H,10H2;1H
InChI Key:
RREODNYNAPILHF-UHFFFAOYSA-N
SMILES:
Fc1c(F)cc(c(c1N)S)F.Cl
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.978g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
215.618g/mol
Monoisotopic Mass:
214.978g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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