2-(3-Nitrophenyl)isoindoline
Basic information
- CAS
359811-06-6- Standard SMILES
O=[N+]([O-])c1cccc(N2Cc3ccccc3C2)c1- InChIKey
KGTVGOAEWDYWLH-UHFFFAOYSA-N- Molecular formula
- C14H12N2O2
- Average molar mass
- 240.26 g/mol
- Monoisotopic mass
- 240.08987763
Names & identifiers
- Preferred name
- 2-(3-Nitrophenyl)isoindoline
- IUPAC
- 2-(3-nitrophenyl)-1,3-dihydroisoindole
- English name
- TIMTEC-BB SBB006303
- Molecular formula
- C14H12N2O2
- Molecular weight
- 240.26
Names & synonyms
2-(3-nitrophenyl)isoindoline359811-06-6MFCD029407472-(3-nitrophenyl)-1,3-dihydroisoindole2-(3-nitrophenyl)-2,3-dihydro-1H-isoindole1H-isoindole, 2,3-dihydro-2-(3-nitrophenyl)-Oprea1_374280MLS000683271CHEMBL1511813SCHEMBL13166609DTXSID201320021HMS2716P18
Show more names
TIMTEC-BB SBB006303
ALBB-023156SBB006303AKOS003273918SB65620LS-07240SMR000267612ST024138CS-0327564
Database identifiers
- CAS
359811-06-6- PubChem CID
- 698272
- DTXSID
DTXSID201320021- ChEMBL
CHEMBL1511813
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Experimental & physicochemical properties
Solubility7.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 22
- hazard_code
- Xn
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Related reactions
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Compound notes
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