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206347-30-0 molecular structure
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7-bromo-2,3-dihydro-1-benzofuran

ChemBase ID: 287981
Molecular Formular: C8H7BrO
Molecular Mass: 199.04458
Monoisotopic Mass: 197.96802684
SMILES and InChIs

SMILES:
Brc1c2OCCc2ccc1
Canonical SMILES:
Brc1cccc2c1OCC2
InChI:
InChI=1S/C8H7BrO/c9-7-3-1-2-6-4-5-10-8(6)7/h1-3H,4-5H2
InChIKey:
VGOUXHRZQNPOPY-UHFFFAOYSA-N

Cite this record

CBID:287981 http://www.chembase.cn/molecule-287981.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-bromo-2,3-dihydro-1-benzofuran
IUPAC Traditional name
7-bromo-2,3-dihydro-1-benzofuran
Synonyms
7-Bromo-2,3-dihydrobenzofuran
CAS Number
206347-30-0
PubChem SID
180673512
PubChem CID
22571869

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22571869 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6242156  LogD (pH = 7.4) 2.6242156 
Log P 2.6242156  Molar Refractivity 43.4536 cm3
Polarizability 16.701424 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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