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1060812-96-5 molecular structure
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3-bromo-2-ethoxy-4-methylpyridine

ChemBase ID: 813813
Molecular Formular: C8H10BrNO
Molecular Mass: 216.0751
Monoisotopic Mass: 214.99457595
SMILES and InChIs

SMILES:
n1c(c(c(cc1)C)Br)OCC
Canonical SMILES:
CCOc1nccc(c1Br)C
InChI:
InChI=1S/C8H10BrNO/c1-3-11-8-7(9)6(2)4-5-10-8/h4-5H,3H2,1-2H3
InChIKey:
CEEQVMXHSSBLEG-UHFFFAOYSA-N

Cite this record

CBID:813813 http://www.chembase.cn/molecule-813813.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-2-ethoxy-4-methylpyridine
IUPAC Traditional name
3-bromo-2-ethoxy-4-methylpyridine
Synonyms
3-bromo-2-ethoxy-4-methylpyridine
CAS Number
1060812-96-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35905 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35905 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) 2.8310826  LogD (pH = 7.4) 2.8313384 
Log P 2.8313415  Molar Refractivity 48.0904 cm3
Polarizability 18.402008 Å3 Polar Surface Area 22.12 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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