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59666-15-8 molecular structure
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7-chloro-2-methylquinoline-4-carboxylic acid

ChemBase ID: 306730
Molecular Formular: C11H8ClNO2
Molecular Mass: 221.63972
Monoisotopic Mass: 221.02435618
SMILES and InChIs

SMILES:
c12c(c(C(=O)O)cc(n1)C)ccc(c2)Cl
Canonical SMILES:
Clc1ccc2c(c1)nc(cc2C(=O)O)C
InChI:
InChI=1S/C11H8ClNO2/c1-6-4-9(11(14)15)8-3-2-7(12)5-10(8)13-6/h2-5H,1H3,(H,14,15)
InChIKey:
WOONUCDWZWZHGF-UHFFFAOYSA-N

Cite this record

CBID:306730 http://www.chembase.cn/molecule-306730.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-chloro-2-methylquinoline-4-carboxylic acid
IUPAC Traditional name
7-chloro-2-methylquinoline-4-carboxylic acid
Synonyms
7-chloro-2-methylquinoline-4-carboxylic acid
CAS Number
59666-15-8
MDL Number
MFCD00454150

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.59878355  LogD (pH = 7.4) -0.82954675 
Log P 2.3802016  Molar Refractivity 56.6318 cm3
Polarizability 22.904276 Å3 Polar Surface Area 50.19 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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