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108258-54-4 molecular structure
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methyl 2,3-dichloroquinoxaline-6-carboxylate

ChemBase ID: 45069
Molecular Formular: C10H6Cl2N2O2
Molecular Mass: 257.07284
Monoisotopic Mass: 255.9806328
SMILES and InChIs

SMILES:
n1c(c(nc2c1cc(C(=O)OC)cc2)Cl)Cl
Canonical SMILES:
COC(=O)c1ccc2c(c1)nc(c(n2)Cl)Cl
InChI:
InChI=1S/C10H6Cl2N2O2/c1-16-10(15)5-2-3-6-7(4-5)14-9(12)8(11)13-6/h2-4H,1H3
InChIKey:
ZLWYANCDEVPWLW-UHFFFAOYSA-N

Cite this record

CBID:45069 http://www.chembase.cn/molecule-45069.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2,3-dichloroquinoxaline-6-carboxylate
IUPAC Traditional name
methyl 2,3-dichloroquinoxaline-6-carboxylate
Synonyms
Methyl 2,3-dichloro-6-quinoxalinecarboxylate
Methyl 2,3-dichloroquinoxaline-6-carboxylate
CAS Number
108258-54-4
MDL Number
MFCD12827814
PubChem SID
162049832
PubChem CID
13799594

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.950999  LogD (pH = 7.4) 2.950999 
Log P 2.950999  Molar Refractivity 61.2079 cm3
Polarizability 24.449343 Å3 Polar Surface Area 52.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
117 - 119 °C expand Show data source
117-119°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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