Compound C16H11Cl4NO2S

2,3,5,6-tetrachloro-4-(3-phenylpropylsulfonyl)benzonitrile

CAS: 56916-63-3

Molecular Formula	`C16H11Cl4NO2S`
Molecular Weight	423.1 g/mol
LogP	5.7
Topological Polar Surface Area	66.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	422.92352
Heavy Atoms	24
Complexity	548.0

Chemical Identifiers

CAS Number	56916-63-3
SMILES	`C1=CC=C(C=C1)CCCS(=O)(=O)C2=C(C(=C(C(=C2Cl)Cl)C#N)Cl)Cl`
InChIKey	`BGFXYRWKTITODM-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H11Cl4NO2S (CAS: 56916-63-3) is a chemical compound with molecular formula C16H11Cl4NO2S and molecular weight 423.1 g/mol. Its IUPAC systematic name is 2,3,5,6-tetrachloro-4-(3-phenylpropylsulfonyl)benzonitrile. LogP 5.7 Topological Polar Surface Area 66.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 422.92352 Heavy Atoms 24 Complexity 548.0 InChI Key: BGFXYRWKTITODM-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)CCCS(=O)(=O)C2=C(C(=C(C(=C2Cl)Cl)C#N)Cl)Cl.

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