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130722-95-1 molecular structure
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3-(benzyloxy)-5-bromopyridine

ChemBase ID: 807261
Molecular Formular: C12H10BrNO
Molecular Mass: 264.1179
Monoisotopic Mass: 262.99457595
SMILES and InChIs

SMILES:
n1cc(cc(c1)Br)OCc1ccccc1
Canonical SMILES:
Brc1cncc(c1)OCc1ccccc1
InChI:
InChI=1S/C12H10BrNO/c13-11-6-12(8-14-7-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey:
YSHKYZAWTWKQKK-UHFFFAOYSA-N

Cite this record

CBID:807261 http://www.chembase.cn/molecule-807261.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(benzyloxy)-5-bromopyridine
IUPAC Traditional name
3-(benzyloxy)-5-bromopyridine
Synonyms
3-(BENZYLOXY)-5-BROMOPYRIDINE
CAS Number
130722-95-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O25219 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0897162  LogD (pH = 7.4) 3.09111 
Log P 3.0911279  Molar Refractivity 62.5997 cm3
Polarizability 24.274187 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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INTERNET

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