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2-Cyano-5-nitroindane

HCID 18958962
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CC1Cc2ccc([N+](=O)[O-])cc2C1
InChIKey
HMPYKJOGWXIWPQ-UHFFFAOYSA-N
Molecular formula
C10H8N2O2
Average molar mass
188.18 g/mol

Names & identifiers

Preferred name
2-Cyano-5-nitroindane
IUPAC
5-nitro-2,3-dihydro-1H-indene-2-carbonitrile

Names & synonyms

2-cyano-5-nitroindaneSCHEMBL9332776HMPYKJOGWXIWPQ-UHFFFAOYSA-N

Database identifiers

PubChem CID
18958962

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
69.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
14
Formal charge
0
Complexity
288

Related reactions

4 records
New reaction record
HRID 1116299 reaction equation
HRID 1116299As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1708558 reaction equation
HRID 1708558As productuspto-grants-1994_10
HRID 1708559 reaction equation
HRID 1708559As reactantuspto-grants-1994_10
HRID 2135225 reaction equation
HRID 2135225As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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