CAS 25983-13-5|6,7-dichloro-1,2,3,4-tetrahydroquinoxaline-2,3-dione|6,7-Dichloro-1,4-dihydroquinoxaline-2,3-dione 98%|6,7-Dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline|6,7-dichloro-1,4-dihydroqui...

General Information

Structure

Molecular Formula

C₈H₄Cl₂N₂O₂

Molecular Mass

231.03556

Exact Mass

229.96498274

Charge

InChI

InChI=1S/C8H4Cl2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)

InChIKey

AVBSIKMUAFYZAV-UHFFFAOYSA-N

Canonic Smiles

Clc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl

Isomeric Smiles

[nH]1c(=O)c(=O)[nH]c2cc(c(cc12)Cl)Cl

Calculated Properties

JChem

Acid pKa

10.101425

H Acceptors

H Donor

LogD (pH = 5.5)

1.8396854

LogD (pH = 7.4)

1.838876

Log P

1.8396958

Molar Refractivity

54.5448

Polarizability

19.645033

Polar Surface Area

58.2

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

6,7-dichloro-1,2,3,4-tetrahydroquinoxaline-2,3-dione

Synonyms

6,7-Dichloro-1,4-dihydroquinoxaline-2,3-dione 98%6,7-Dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline6,7-Dichloroquinoxaline-2,3-dioneDCQX6,7-Dichloro-2,3-quinoxalinedione2,3-Quinoxalinedione, 6,7-dichloro-1,4-dihydro-6,7-dichloroquinoxaline-2,3(1H,4H)-dione

IUPAC Traditional name

6,7-dichloro-1,4-dihydroquinoxaline-2,3-dione

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

MDL Number

PubChem CID