7-nitro-1H-indene

HCID 13239587

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=[N+]([O-])c1cccc2c1CC=C2
InChIKey: XIABDXIZFQYNDM-UHFFFAOYSA-N
Molecular formula: C9H7NO2
Average molar mass: 161.16 g/mol
Monoisotopic mass: 161.04767847

Names & identifiers

Preferred name: 7-nitro-1H-indene
IUPAC: 7-nitro-1H-indene

Names & synonyms

7-nitro-1H-indene85397-26-8SCHEMBL1573387XIABDXIZFQYNDM-UHFFFAOYSA-N

Database identifiers

PubChem CID: 13239587

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 219

Related reactions

7 records

New reaction record

HRID 325779 reaction equation

HRID 325779As productuspto-grants-1984_04

HRID 647316 reaction equation

HRID 647316As productuspto-grants-1983_10

HRID 683621 reaction equation

HRID 683621As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1164208 reaction equation

HRID 1164208As productuspto-grants-1983_01

HRID 1434557 reaction equation

HRID 1434557As productuspto-grants-2009_11

HRID 1434558 reaction equation

HRID 1434558As reactantuspto-grants-2009_11

HRID 2325982 reaction equation

HRID 2325982As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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