Home > Compound List > Compound details
108229-82-9 molecular structure
click picture or here to close

6-bromo-2,3-dichloroquinoxaline

ChemBase ID: 294522
Molecular Formular: C8H3BrCl2N2
Molecular Mass: 277.93282
Monoisotopic Mass: 275.88566547
SMILES and InChIs

SMILES:
Clc1nc2cc(Br)ccc2nc1Cl
Canonical SMILES:
Brc1ccc2c(c1)nc(c(n2)Cl)Cl
InChI:
InChI=1S/C8H3BrCl2N2/c9-4-1-2-5-6(3-4)13-8(11)7(10)12-5/h1-3H
InChIKey:
PSSGUHOTRLMJNO-UHFFFAOYSA-N

Cite this record

CBID:294522 http://www.chembase.cn/molecule-294522.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-2,3-dichloroquinoxaline
IUPAC Traditional name
6-bromo-2,3-dichloroquinoxaline
Synonyms
6-Bromo-2,3-dichloroquinoxaline
CAS Number
108229-82-9
MDL Number
MFCD09842518
PubChem SID
180680053
PubChem CID
13799585

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD233546 Please log in.
Data Source Data ID
PubChem 13799585 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7162747  LogD (pH = 7.4) 3.7162747 
Log P 3.7162747  Molar Refractivity 56.8054 cm3
Polarizability 22.84361 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle