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25229-74-7 molecular structure
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3-(4-iodophenyl)-2H-chromen-2-one

ChemBase ID: 311144
Molecular Formular: C15H9IO2
Molecular Mass: 348.13523
Monoisotopic Mass: 347.96472753
SMILES and InChIs

SMILES:
c1(c(=O)oc2c(c1)cccc2)c1ccc(cc1)I
Canonical SMILES:
Ic1ccc(cc1)c1cc2ccccc2oc1=O
InChI:
InChI=1S/C15H9IO2/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-9H
InChIKey:
SECODLMNIMINDN-UHFFFAOYSA-N

Cite this record

CBID:311144 http://www.chembase.cn/molecule-311144.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-iodophenyl)-2H-chromen-2-one
IUPAC Traditional name
3-(4-iodophenyl)chromen-2-one
Synonyms
3-(4-iodophenyl)-2H-chromen-2-one
CAS Number
25229-74-7
MDL Number
MFCD01179324

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.380392  LogD (pH = 7.4) 4.380392 
Log P 4.380392  Molar Refractivity 79.3632 cm3
Polarizability 30.388607 Å3 Polar Surface Area 26.3 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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