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938138-94-4 molecular structure
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2,6-dichloro-8-methylquinoline-3-carbaldehyde

ChemBase ID: 804931
Molecular Formular: C11H7Cl2NO
Molecular Mass: 240.08538
Monoisotopic Mass: 238.99046921
SMILES and InChIs

SMILES:
c1c(c2c(cc1Cl)cc(c(n2)Cl)C=O)C
Canonical SMILES:
O=Cc1cc2cc(Cl)cc(c2nc1Cl)C
InChI:
InChI=1S/C11H7Cl2NO/c1-6-2-9(12)4-7-3-8(5-15)11(13)14-10(6)7/h2-5H,1H3
InChIKey:
LQGCPWAESLYAKC-UHFFFAOYSA-N

Cite this record

CBID:804931 http://www.chembase.cn/molecule-804931.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dichloro-8-methylquinoline-3-carbaldehyde
IUPAC Traditional name
2,6-dichloro-8-methylquinoline-3-carbaldehyde
Synonyms
2,6-DICHLORO-8-METHYLQUINOLINE-3-CARBOXALDEHYDE
CAS Number
938138-94-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22146 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22146 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) 3.7850907  LogD (pH = 7.4) 3.7850907 
Log P 3.7850907  Molar Refractivity 62.2754 cm3
Polarizability 24.407898 Å3 Polar Surface Area 29.96 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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