Dichloralphenazone structure

Dichloralphenazone

1,5-dimethyl-2-phenylpyrazol-3-one;bis(2,2,2-trichloroethane-1,1-diol)

CAS: 480-30-8
Molecular Formula C15H18Cl6N2O5
Molecular Weight 519.0 g/mol
Topological Polar Surface Area 104.0 A2
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
Rotatable Bonds 1
Exact Mass 517.93176
Heavy Atoms 28
Complexity 323.0

Chemical Identifiers

CAS Number 480-30-8
SMILES CC1=CC(=O)N(N1C)C2=CC=CC=C2.C(C(Cl)(Cl)Cl)(O)O.C(C(Cl)(Cl)Cl)(O)O
InChIKey ATKXDQOHNICLQW-UHFFFAOYSA-N

📖 Product Overview

Dichloralphenazone (CAS: 480-30-8) is a chemical compound with molecular formula C15H18Cl6N2O5 and molecular weight 519.0 g/mol. Its IUPAC systematic name is 1,5-dimethyl-2-phenylpyrazol-3-one;bis(2,2,2-trichloroethane-1,1-diol). Topological Polar Surface Area 104.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 6 Rotatable Bonds 1 Exact Mass 517.93176 Heavy Atoms 28 Complexity 323.0 InChI Key: ATKXDQOHNICLQW-UHFFFAOYSA-N. SMILES: CC1=CC(=O)N(N1C)C2=CC=CC=C2.C(C(Cl)(Cl)Cl)(O)O.C(C(Cl)(Cl)Cl)(O)O.

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