CC(C)(C)C1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])Cl
Name: 2-tert-butyl-5-chloro-6-nitro-1,3-benzothiazole
SMILES: CC(C)(C)C1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])Cl

Molecular Processing

Molecular formula
C11H11ClN2O2S
Molecular weight
270.74
Exact mass
270.023
XLogP
4.16
TPSA
56.03
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
69.98

Supplementary Information

InChIKey: SZEZJNOAXJSKOV-UHFFFAOYSA-N
Synonyme
SCHEMBL9455529SZEZJNOAXJSKOV-UHFFFAOYSA-N2-tert-butyl-5-chloro-6-nitrobenzothiazole2-tert.-butyl-5-chloro-6-nitrobenzothiazole
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