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203626-80-6 molecular structure
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4,5,7-trichloro-2-methylquinoline

ChemBase ID: 816059
Molecular Formular: C10H6Cl3N
Molecular Mass: 246.52034
Monoisotopic Mass: 244.95658224
SMILES and InChIs

SMILES:
c1(cc2c(c(c1)Cl)c(cc(n2)C)Cl)Cl
Canonical SMILES:
Clc1cc(Cl)c2c(c1)nc(cc2Cl)C
InChI:
InChI=1S/C10H6Cl3N/c1-5-2-7(12)10-8(13)3-6(11)4-9(10)14-5/h2-4H,1H3
InChIKey:
DSRVLGATYHLALY-UHFFFAOYSA-N

Cite this record

CBID:816059 http://www.chembase.cn/molecule-816059.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,5,7-trichloro-2-methylquinoline
IUPAC Traditional name
4,5,7-trichloro-2-methylquinoline
Synonyms
2-METHYL-4,5,7-TRICHLOROQUINOLINE
CAS Number
203626-80-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O39680 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O39680 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) 4.073679  LogD (pH = 7.4) 4.0743957 
Log P 4.0744047  Molar Refractivity 58.9852 cm3
Polarizability 24.345041 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

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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