2-(4-Nitrophenyl)indolizine

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Basic information

CAS: 54149-11-0
Standard SMILES: O=[N+]([O-])c1ccc(-c2cc3ccccn3c2)cc1
InChIKey: CCRXTYXEWWXCOM-UHFFFAOYSA-N
Molecular formula: C14H10N2O2
Average molar mass: 238.24 g/mol
Monoisotopic mass: 238.07422756

Names & identifiers

Preferred name: 2-(4-Nitrophenyl)indolizine
IUPAC: 2-(4-nitrophenyl)indolizine

Names & synonyms

2-(4-nitrophenyl)indolizine54149-11-0DTXSID90288133Indolizine, 2-(4-nitrophenyl)-RefChem:252782DTXCID30239280CCRXTYXEWWXCOM-UHFFFAOYSA-NNSC543102-(p-nitrophenyl)indolizineSCHEMBL1852148NSC-54310STL417063

Show more names

AKOS000416705DS-003373ST50994777

Database identifiers

CAS: 54149-11-0
PubChem CID: 243979
DTXSID: DTXSID90288133

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 50.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 307

Related reactions

2 records

New reaction record

HRID 97781As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1965839As reactantuspto-grants-2013_04

Compound notes

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