Benzonitrile, 3-[5-(2-benzothiazolylmethoxy)-2-chlorophenoxy]-5-chloro-

Base Information

• Chemical Name: Benzonitrile, 3-[5-(2-benzothiazolylmethoxy)-2-chlorophenoxy]-5-chloro-
• CAS No.: 920035-47-8
• Molecular Formula: C21H12Cl2N2O2S
• Molecular Weight: 427.30300
• ChEMBL ID: CHEMBL256990
• DSSTox Substance ID: DTXSID60581446
• Wikidata: Q82472602

Synonyms:CHEMBL256990;920035-47-8;Benzonitrile, 3-[5-(2-benzothiazolylmethoxy)-2-chlorophenoxy]-5-chloro-;SCHEMBL3608915;DTXSID60581446;BDBM50478384;3-[5-(1,3-benzothiazol-2-ylmethoxy)-2-chloro-phenoxy]-5-chloro-benzonitrile;3-{5-[(1,3-Benzothiazol-2-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile

Chemical Property of Benzonitrile, 3-[5-(2-benzothiazolylmethoxy)-2-chlorophenoxy]-5-chloro-

Chemical Property:

• Boiling Point: 555.7±50.0 °C(Predicted)
• PSA: 83.38000
• Density: 1.49±0.1 g/cm3(Predicted)
• LogP: 6.84608
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 425.9996542
• Heavy Atom Count: 28
• Complexity: 574

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)COC3=CC(=C(C=C3)Cl)OC4=CC(=CC(=C4)C#N)Cl

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