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2314-76-3 molecular structure
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2-(3-methylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione

ChemBase ID: 111406
Molecular Formular: C15H11NO2
Molecular Mass: 237.25334
Monoisotopic Mass: 237.0789786
SMILES and InChIs

SMILES:
Cc1cccc(c1)N1C(=O)c2ccccc2C1=O
Canonical SMILES:
Cc1cccc(c1)N1C(=O)c2c(C1=O)cccc2
InChI:
InChI=1S/C15H11NO2/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15(16)18/h2-9H,1H3
InChIKey:
FKKIPNKONXXQNE-UHFFFAOYSA-N

Cite this record

CBID:111406 http://www.chembase.cn/molecule-111406.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-methylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC Traditional name
2-(3-methylphenyl)isoindole-1,3-dione
Synonyms
N-m-TOLYLPHTHALIMIDE
CAS Number
2314-76-3
PubChem SID
162103311
PubChem CID
233441

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05219040 external link Add to cart Please log in.
Data Source Data ID
PubChem 233441 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.088479  LogD (pH = 7.4) 3.088479 
Log P 3.088479  Molar Refractivity 69.0303 cm3
Polarizability 25.852102 Å3 Polar Surface Area 37.38 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05219040 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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