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1215205-97-2 molecular structure
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2,7-dichloro-8-methylquinoline

ChemBase ID: 247291
Molecular Formular: C10H7Cl2N
Molecular Mass: 212.07528
Monoisotopic Mass: 210.99555459
SMILES and InChIs

SMILES:
c12nc(ccc2ccc(c1C)Cl)Cl
Canonical SMILES:
Clc1ccc2c(n1)c(C)c(cc2)Cl
InChI:
InChI=1S/C10H7Cl2N/c1-6-8(11)4-2-7-3-5-9(12)13-10(6)7/h2-5H,1H3
InChIKey:
FJWUNDFOALTTAM-UHFFFAOYSA-N

Cite this record

CBID:247291 http://www.chembase.cn/molecule-247291.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,7-dichloro-8-methylquinoline
IUPAC Traditional name
2,7-dichloro-8-methylquinoline
Synonyms
2,7-dichloro-8-methylquinoline
CAS Number
1215205-97-2
MDL Number
MFCD15143625
PubChem SID
164303201
PubChem CID
53217380

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 53217380 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.0725875  LogD (pH = 7.4) 4.0725884 
Log P 4.0725884  Molar Refractivity 55.6914 cm3
Polarizability 22.49054 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
92 - 94°C expand Show data source
Hydrophobicity(logP)
4.06 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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