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90767-09-2 molecular structure
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2-(bromomethyl)-6-nitroquinoline

ChemBase ID: 804776
Molecular Formular: C10H7BrN2O2
Molecular Mass: 267.07878
Monoisotopic Mass: 265.96908947
SMILES and InChIs

SMILES:
c1cc2c(cc1[N+](=O)[O-])ccc(n2)CBr
Canonical SMILES:
BrCc1ccc2c(n1)ccc(c2)[N+](=O)[O-]
InChI:
InChI=1S/C10H7BrN2O2/c11-6-8-2-1-7-5-9(13(14)15)3-4-10(7)12-8/h1-5H,6H2
InChIKey:
FXVPQFWEVKYLME-UHFFFAOYSA-N

Cite this record

CBID:804776 http://www.chembase.cn/molecule-804776.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(bromomethyl)-6-nitroquinoline
IUPAC Traditional name
2-(bromomethyl)-6-nitroquinoline
Synonyms
2-(BROMOMETHYL)-6-NITROQUINOLINE
CAS Number
90767-09-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21944 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21944 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) 2.9246192  LogD (pH = 7.4) 2.925088 
Log P 2.925094  Molar Refractivity 58.628 cm3
Polarizability 23.337744 Å3 Polar Surface Area 56.03 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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