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93600-19-2 molecular structure
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4-chloro-6-methyl-2-(trichloromethyl)quinoline

ChemBase ID: 87853
Molecular Formular: C11H7Cl4N
Molecular Mass: 294.99198
Monoisotopic Mass: 292.93325995
SMILES and InChIs

SMILES:
n1c(cc(c2cc(ccc12)C)Cl)C(Cl)(Cl)Cl
Canonical SMILES:
Cc1ccc2c(c1)c(Cl)cc(n2)C(Cl)(Cl)Cl
InChI:
InChI=1S/C11H7Cl4N/c1-6-2-3-9-7(4-6)8(12)5-10(16-9)11(13,14)15/h2-5H,1H3
InChIKey:
GERDLAGWORVXDD-UHFFFAOYSA-N

Cite this record

CBID:87853 http://www.chembase.cn/molecule-87853.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-6-methyl-2-(trichloromethyl)quinoline
IUPAC Traditional name
4-chloro-6-methyl-2-(trichloromethyl)quinoline
Synonyms
4-CHLORO-6-METHYL-2-TRICHLOROMETHYL-QUINOLINE
4-Chloro-6-methyl-2-(trichloromethyl)quinoline
CAS Number
93600-19-2
MDL Number
MFCD00272423
PubChem SID
162074893
PubChem CID
17039580

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17039580 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1320786  LogD (pH = 7.4) 5.1321244 
Log P 5.132125  Molar Refractivity 69.9314 cm3
Polarizability 27.955738 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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