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16855-41-7 molecular structure
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1-(bromomethyl)-4-nitronaphthalene

ChemBase ID: 797957
Molecular Formular: C11H8BrNO2
Molecular Mass: 266.09072
Monoisotopic Mass: 264.9738405
SMILES and InChIs

SMILES:
c1cc2c(cc1)c(ccc2CBr)[N+](=O)[O-]
Canonical SMILES:
BrCc1ccc(c2c1cccc2)[N+](=O)[O-]
InChI:
InChI=1S/C11H8BrNO2/c12-7-8-5-6-11(13(14)15)10-4-2-1-3-9(8)10/h1-6H,7H2
InChIKey:
SJOQNSWOKVTGMG-UHFFFAOYSA-N

Cite this record

CBID:797957 http://www.chembase.cn/molecule-797957.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(bromomethyl)-4-nitronaphthalene
IUPAC Traditional name
1-(bromomethyl)-4-nitronaphthalene
Synonyms
1-Bromomethyl-4-nitro-naphthalene
CAS Number
16855-41-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10125 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10125 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) 3.6754441  LogD (pH = 7.4) 3.6754441 
Log P 3.6754441  Molar Refractivity 61.6791 cm3
Polarizability 24.17139 Å3 Polar Surface Area 43.14 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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