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5333-99-3 molecular structure
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2-(naphthalen-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione

ChemBase ID: 109540
Molecular Formular: C18H11NO2
Molecular Mass: 273.28544
Monoisotopic Mass: 273.0789786
SMILES and InChIs

SMILES:
O=C1N(C(=O)c2ccccc12)c1cccc2c1cccc2
Canonical SMILES:
O=C1c2ccccc2C(=O)N1c1cccc2c1cccc2
InChI:
InChI=1S/C18H11NO2/c20-17-14-9-3-4-10-15(14)18(21)19(17)16-11-5-7-12-6-1-2-8-13(12)16/h1-11H
InChIKey:
LPCGITYWEFRRFS-UHFFFAOYSA-N

Cite this record

CBID:109540 http://www.chembase.cn/molecule-109540.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(naphthalen-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC Traditional name
2-(naphthalen-1-yl)isoindole-1,3-dione
Synonyms
N-(α-NAPHTHYL)PHTHALIMIDE
CAS Number
5333-99-3
PubChem SID
162095328
PubChem CID
79252

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05211509 external link Add to cart Please log in.
Data Source Data ID
PubChem 79252 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5645342  LogD (pH = 7.4) 3.5645344 
Log P 3.5645344  Molar Refractivity 80.4393 cm3
Polarizability 31.633486 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 - 05211509 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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