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91991-86-5 molecular structure
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4-chloro-8-methyl-2-(trichloromethyl)quinoline

ChemBase ID: 816036
Molecular Formular: C11H7Cl4N
Molecular Mass: 294.99198
Monoisotopic Mass: 292.93325995
SMILES and InChIs

SMILES:
c1c(c2c(cc1)c(cc(n2)C(Cl)(Cl)Cl)Cl)C
Canonical SMILES:
Cc1cccc2c1nc(cc2Cl)C(Cl)(Cl)Cl
InChI:
InChI=1S/C11H7Cl4N/c1-6-3-2-4-7-8(12)5-9(11(13,14)15)16-10(6)7/h2-5H,1H3
InChIKey:
DIXDPMLPCIEUHW-UHFFFAOYSA-N

Cite this record

CBID:816036 http://www.chembase.cn/molecule-816036.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-8-methyl-2-(trichloromethyl)quinoline
IUPAC Traditional name
4-chloro-8-methyl-2-(trichloromethyl)quinoline
Synonyms
4-CHLORO-8-METHYL-2-TRICHLOROMETHYL-QUINOLINE
CAS Number
91991-86-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O39654 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O39654 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1320896  LogD (pH = 7.4) 5.132125 
Log P 5.132125  Molar Refractivity 69.9314 cm3
Polarizability 27.956722 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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