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41213-32-5 molecular structure
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2-chloro-6-(trifluoromethyl)quinoxaline

ChemBase ID: 293041
Molecular Formular: C9H4ClF3N2
Molecular Mass: 232.5896696
Monoisotopic Mass: 232.00151048
SMILES and InChIs

SMILES:
FC(c1ccc2nc(Cl)cnc2c1)(F)F
Canonical SMILES:
Clc1cnc2c(n1)ccc(c2)C(F)(F)F
InChI:
InChI=1S/C9H4ClF3N2/c10-8-4-14-7-3-5(9(11,12)13)1-2-6(7)15-8/h1-4H
InChIKey:
PKOWPBJJCLWQMY-UHFFFAOYSA-N

Cite this record

CBID:293041 http://www.chembase.cn/molecule-293041.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-6-(trifluoromethyl)quinoxaline
IUPAC Traditional name
2-chloro-6-(trifluoromethyl)quinoxaline
Synonyms
2-Chloro-6-(trifluoromethyl)quinoxaline
CAS Number
41213-32-5
MDL Number
MFCD05669533
PubChem SID
180678572
PubChem CID
3547342

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241976 Please log in.
Data Source Data ID
PubChem 3547342 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0011473  LogD (pH = 7.4) 3.0011487 
Log P 3.0011487  Molar Refractivity 49.2902 cm3
Polarizability 19.146805 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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