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MFCD08235237 molecular structure
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4-phenoxyfuran-2-carbonyl chloride

ChemBase ID: 90975
Molecular Formular: C11H7ClO3
Molecular Mass: 222.62448
Monoisotopic Mass: 222.00837176
SMILES and InChIs

SMILES:
o1cc(Oc2ccccc2)cc1C(=O)Cl
Canonical SMILES:
ClC(=O)c1occ(c1)Oc1ccccc1
InChI:
InChI=1S/C11H7ClO3/c12-11(13)10-6-9(7-14-10)15-8-4-2-1-3-5-8/h1-7H
InChIKey:
CQXHLNAGAUDPCF-UHFFFAOYSA-N

Cite this record

CBID:90975 http://www.chembase.cn/molecule-90975.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-phenoxyfuran-2-carbonyl chloride
IUPAC Traditional name
4-phenoxyfuran-2-carbonyl chloride
Synonyms
4-Phenoxy-2-furoyl chloride 95%
MDL Number
MFCD08235237
PubChem SID
162077679
PubChem CID
26967342

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 26967342 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.724692  LogD (pH = 7.4) 2.724692 
Log P 2.724692  Molar Refractivity 55.8044 cm3
Polarizability 21.326267 Å3 Polar Surface Area 39.44 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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