2-(7-nitro-1H-indazol-4-yl)acetonitrile

HCID 13629308

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: N#CCc1ccc([N+](=O)[O-])c2[nH]ncc12
InChIKey: GVWNXEXGJAMCGE-UHFFFAOYSA-N
Molecular formula: C9H6N4O2
Average molar mass: 202.17 g/mol
Monoisotopic mass: 202.04907545

Names & identifiers

Preferred name: 2-(7-nitro-1H-indazol-4-yl)acetonitrile
IUPAC: 2-(7-nitro-1H-indazol-4-yl)acetonitrile

Names & synonyms

SCHEMBL9687961GVWNXEXGJAMCGE-UHFFFAOYSA-N2-(7-nitro-1H-indazol-4-yl)acetonitrile2-(7-nitro-1H-indazol-4-yl)-acetonitrile

Database identifiers

PubChem CID: 13629308

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 98.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 305

Related reactions

6 records

New reaction record

HRID 1032526 reaction equation

HRID 1032526As productuspto-grants-1990_09

HRID 1032528 reaction equation

HRID 1032528As reactantuspto-grants-1990_09

HRID 1032544 reaction equation

HRID 1032544As reactantuspto-grants-1990_09

HRID 1129236 reaction equation

HRID 1129236As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1144230 reaction equation

HRID 1144230As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2318309 reaction equation

HRID 2318309As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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