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2-(5-Methyl-1,3-dioxo-isoindolin-2-yl)ethyl-triphenyl-phosphonium

HCID 498161
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Basic information

CAS
65273-56-5
Standard SMILES
Cc1ccc2c(c1)C(=O)N(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C2=O
InChIKey
NVGWLGWUZPWTLK-UHFFFAOYSA-N
Molecular formula
C29H25NO2P+
Average molar mass
450.5 g/mol
Monoisotopic mass
450.16229104

Names & identifiers

Preferred name
2-(5-Methyl-1,3-dioxo-isoindolin-2-yl)ethyl-triphenyl-phosphonium
IUPAC
2-(5-methyl-1,3-dioxoisoindol-2-yl)ethyl-triphenylphosphanium

Names & synonyms

NSC26547465273-56-5CHEMBL3306458DTXSID503332992-(5-methyl-1,3-dioxo-isoindolin-2-yl)ethyl-triphenyl-phosphoniumPhosphonium, [2-(1,3-dihydro-5-methyl-1,3-dioxo-2H-isoindol-2-yl)ethyl]triphenyl-[2-(5-Methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]tri(phenyl)phosphanium

Database identifiers

CAS
65273-56-5
PubChem CID
498161
DTXSID
DTXSID50333299
ChEMBL
CHEMBL3306458

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
37.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
33
Formal charge
1
Complexity
644

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