CAS 2435-53-2|o-Chloranil|3,4,5,6-Tetrachloro-o-benzoquinone|tetrachlorocyclohexa-3,5-diene-1,2-dione|TETRACHLORO-o-QUINONE|tetrachlorocyclohexa-3,5-diene-1,2-dione|Tetrachloro-o-benzoquinone|3,4,5,...

General Information

Structure

Molecular Formula

C₆Cl₄O₂

Molecular Mass

245.875

Exact Mass

243.86523996

Charge

InChI

InChI=1S/C6Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9

InChIKey

VRGCYEIGVVTZCC-UHFFFAOYSA-N

Canonic Smiles

ClC1=C(Cl)C(=O)C(=O)C(=C1Cl)Cl

Isomeric Smiles

ClC1=C(C(=O)C(=O)C(=C1Cl)Cl)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.5799232

LogD (pH = 7.4)

2.5799232

Log P

2.5799232

Molar Refractivity

50.194

Polarizability

18.518835

Polar Surface Area

34.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

o-Chloranil3,4,5,6-Tetrachloro-o-benzoquinoneTETRACHLORO-o-QUINONETetrachloro-o-benzoquinone3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dioneTetrachloro-1,2-benzoquinone3,4,5,6-Tetrachloro-1,2-benzoquinone邻四氯苯醌3,4,5,6-四氯-1,2-苯醌3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-dione

IUPAC Traditional name

tetrachlorocyclohexa-3,5-diene-1,2-dione

IUPAC name

tetrachlorocyclohexa-3,5-diene-1,2-dione

Names and Identifiers

Registration numbers

CAS Number

2435-53-2

MDL Number

MFCD00001646

Beilstein Number

1309782