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1207-81-4 molecular structure
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4-chloro-2-methyl-6-nitroquinoline

ChemBase ID: 113746
Molecular Formular: C10H7ClN2O2
Molecular Mass: 222.62778
Monoisotopic Mass: 222.01960515
SMILES and InChIs

SMILES:
[N+](=O)(c1cc2c(nc(cc2Cl)C)cc1)[O-]
Canonical SMILES:
Cc1cc(Cl)c2c(n1)ccc(c2)[N+](=O)[O-]
InChI:
InChI=1S/C10H7ClN2O2/c1-6-4-9(11)8-5-7(13(14)15)2-3-10(8)12-6/h2-5H,1H3
InChIKey:
JLGPAZQKQYSOTR-UHFFFAOYSA-N

Cite this record

CBID:113746 http://www.chembase.cn/molecule-113746.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2-methyl-6-nitroquinoline
IUPAC Traditional name
4-chloro-2-methyl-6-nitroquinoline
Synonyms
4-Chloro-2-methyl-6-nitroquinoline
CAS Number
1207-81-4
MDL Number
MFCD00089381
PubChem SID
162100181
PubChem CID
5084949

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Life Chemicals
F1901-0064 external link Add to cart Please log in.
Data Source Data ID
PubChem 5084949 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8011105  LogD (pH = 7.4) 2.806234 
Log P 2.8062994  Molar Refractivity 56.7003 cm3
Polarizability 22.452927 Å3 Polar Surface Area 58.71 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
2.966 expand Show data source
Purity
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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