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26933-09-5 molecular structure
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5,7-dichloro-2-methylquinoline

ChemBase ID: 805223
Molecular Formular: C10H7Cl2N
Molecular Mass: 212.07528
Monoisotopic Mass: 210.99555459
SMILES and InChIs

SMILES:
c1(cc2c(c(c1)Cl)ccc(n2)C)Cl
Canonical SMILES:
Clc1cc(Cl)c2c(c1)nc(cc2)C
InChI:
InChI=1S/C10H7Cl2N/c1-6-2-3-8-9(12)4-7(11)5-10(8)13-6/h2-5H,1H3
InChIKey:
HOGMFBWKANERDP-UHFFFAOYSA-N

Cite this record

CBID:805223 http://www.chembase.cn/molecule-805223.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,7-dichloro-2-methylquinoline
IUPAC Traditional name
5,7-dichloro-2-methylquinoline
Synonyms
5,7-DICHLORO-2-METHYLQUINOLINE
CAS Number
26933-09-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22509 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22509 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) 3.4650056  LogD (pH = 7.4) 3.470292 
Log P 3.47036  Molar Refractivity 54.1804 cm3
Polarizability 22.44221 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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