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1016531-68-2 molecular structure
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2-(2-bromophenoxymethyl)pyridine

ChemBase ID: 290632
Molecular Formular: C12H10BrNO
Molecular Mass: 264.1179
Monoisotopic Mass: 262.99457595
SMILES and InChIs

SMILES:
Brc1ccccc1OCc1ncccc1
Canonical SMILES:
Brc1ccccc1OCc1ccccn1
InChI:
InChI=1S/C12H10BrNO/c13-11-6-1-2-7-12(11)15-9-10-5-3-4-8-14-10/h1-8H,9H2
InChIKey:
APVLSMPTXATIRL-UHFFFAOYSA-N

Cite this record

CBID:290632 http://www.chembase.cn/molecule-290632.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-bromophenoxymethyl)pyridine
IUPAC Traditional name
2-(2-bromophenoxymethyl)pyridine
Synonyms
2-((2-Bromophenoxy)methyl)pyridine
CAS Number
1016531-68-2
PubChem SID
180676163
PubChem CID
24689428

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229857 Please log in.
Data Source Data ID
PubChem 24689428 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1647255  LogD (pH = 7.4) 3.1724997 
Log P 3.1725998  Molar Refractivity 62.0775 cm3
Polarizability 24.275818 Å3 Polar Surface Area 22.12 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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