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1378259-42-7 molecular structure
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2-bromo-6-nitroquinoline

ChemBase ID: 292691
Molecular Formular: C9H5BrN2O2
Molecular Mass: 253.0522
Monoisotopic Mass: 251.95343941
SMILES and InChIs

SMILES:
[O-][N+](=O)c1cc2c(cc1)nc(Br)cc2
Canonical SMILES:
Brc1ccc2c(n1)ccc(c2)[N+](=O)[O-]
InChI:
InChI=1S/C9H5BrN2O2/c10-9-4-1-6-5-7(12(13)14)2-3-8(6)11-9/h1-5H
InChIKey:
HQJTYNNFNUQDHN-UHFFFAOYSA-N

Cite this record

CBID:292691 http://www.chembase.cn/molecule-292691.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-6-nitroquinoline
IUPAC Traditional name
2-bromo-6-nitroquinoline
Synonyms
2-Bromo-6-nitroquinoline
CAS Number
1378259-42-7
PubChem SID
180678222
PubChem CID
53890837

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241550 Please log in.
Data Source Data ID
PubChem 53890837 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0451584  LogD (pH = 7.4) 3.0451593 
Log P 3.0451593  Molar Refractivity 54.7648 cm3
Polarizability 21.667273 Å3 Polar Surface Area 56.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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