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220939-72-0 molecular structure
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3-bromo-4-chlorofuro[3,2-c]pyridine

ChemBase ID: 289609
Molecular Formular: C7H3BrClNO
Molecular Mass: 232.46182
Monoisotopic Mass: 230.9086534
SMILES and InChIs

SMILES:
Clc1nccc2c1c(Br)co2
Canonical SMILES:
Brc1coc2c1c(Cl)ncc2
InChI:
InChI=1S/C7H3BrClNO/c8-4-3-11-5-1-2-10-7(9)6(4)5/h1-3H
InChIKey:
VJWDCUWEVVDVKR-UHFFFAOYSA-N

Cite this record

CBID:289609 http://www.chembase.cn/molecule-289609.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-4-chlorofuro[3,2-c]pyridine
IUPAC Traditional name
3-bromo-4-chlorofuro[3,2-c]pyridine
Synonyms
3-Bromo-4-chlorofuro[3,2-c]pyridine
CAS Number
220939-72-0
MDL Number
MFCD13193360
PubChem SID
180675140
PubChem CID
10681119

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD224391 Please log in.
Data Source Data ID
PubChem 10681119 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5076706  LogD (pH = 7.4) 2.5076714 
Log P 2.5076714  Molar Refractivity 46.2311 cm3
Polarizability 18.651691 Å3 Polar Surface Area 26.03 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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