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63810-80-0 molecular structure
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2,3-dichloro-6,7-dimethylquinoxaline

ChemBase ID: 75260
Molecular Formular: C10H8Cl2N2
Molecular Mass: 227.08992
Monoisotopic Mass: 226.00645363
SMILES and InChIs

SMILES:
n1c(c(nc2cc(c(cc12)C)C)Cl)Cl
Canonical SMILES:
Cc1cc2nc(Cl)c(nc2cc1C)Cl
InChI:
InChI=1S/C10H8Cl2N2/c1-5-3-7-8(4-6(5)2)14-10(12)9(11)13-7/h3-4H,1-2H3
InChIKey:
NKBSIBTVPNHSIK-UHFFFAOYSA-N

Cite this record

CBID:75260 http://www.chembase.cn/molecule-75260.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dichloro-6,7-dimethylquinoxaline
IUPAC Traditional name
2,3-dichloro-6,7-dimethylquinoxaline
Synonyms
2,3-Dichloro-6,7-dimethylquinoxaline
CAS Number
63810-80-0
MDL Number
MFCD00772734
PubChem SID
162040178
PubChem CID
4092647

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4092647 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9743648  LogD (pH = 7.4) 3.9743648 
Log P 3.9743648  Molar Refractivity 59.265 cm3
Polarizability 23.48729 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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