C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2.Cl[Ir](Cl)Cl
Name: 2-phenyl-1,3-benzothiazole;trichloroiridium
SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2.Cl[Ir](Cl)Cl

Molecular Processing

Molecular formula
C13H9Cl3IrNS
Molecular weight
509.87
Exact mass
508.9151
XLogP
6.03
TPSA
12.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0
Molar refractivity
82.62

Supplementary Information

InChIKey: AJFIPGWFPIXBSO-UHFFFAOYSA-K
Synonyme
AJFIPGWFPIXBSO-UHFFFAOYSA-K2-phenylbenzothiazole Iridium chloride
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