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264617-03-0 molecular structure
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7-iodo-2,3-dihydro-1-benzofuran

ChemBase ID: 101067
Molecular Formular: C8H7IO
Molecular Mass: 246.04505
Monoisotopic Mass: 245.95416284
SMILES and InChIs

SMILES:
c12OCCc2cccc1I
Canonical SMILES:
Ic1cccc2c1OCC2
InChI:
InChI=1S/C8H7IO/c9-7-3-1-2-6-4-5-10-8(6)7/h1-3H,4-5H2
InChIKey:
IASDAJCCAFGOCE-UHFFFAOYSA-N

Cite this record

CBID:101067 http://www.chembase.cn/molecule-101067.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-iodo-2,3-dihydro-1-benzofuran
IUPAC Traditional name
7-iodo-2,3-dihydro-1-benzofuran
Synonyms
7-iodo-2,3-dihydrobenzo[b]furan
CAS Number
264617-03-0
MDL Number
MFCD11109311
PubChem SID
162086714
PubChem CID
33589431

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 33589431 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7844076  LogD (pH = 7.4) 2.7844076 
Log P 2.7844076  Molar Refractivity 49.1933 cm3
Polarizability 19.061441 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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