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2-Bromo-6-nitro-1-indanone

HCID 11065020
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1c2cc([N+](=O)[O-])ccc2CC1Br
InChIKey
YMAUCCABSHWVFI-UHFFFAOYSA-N
Molecular formula
C9H6BrNO3
Average molar mass
256.05 g/mol

Names & identifiers

Preferred name
2-Bromo-6-nitro-1-indanone
IUPAC
2-bromo-6-nitro-2,3-dihydroinden-1-one

Names & synonyms

2-bromo-6-nitro-1-indanone2-Bromo-6-nitroindan-1-oneSCHEMBL1808330YMAUCCABSHWVFI-UHFFFAOYSA-N

Database identifiers

PubChem CID
11065020

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
62.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
14
Formal charge
0
Complexity
276

Related reactions

4 records
New reaction record
HRID 46627 reaction equation
HRID 46627As productuspto-grants-1979_11
HRID 1977814 reaction equation
HRID 1977814As productuspto-grants-2001_05
HRID 1977815 reaction equation
HRID 1977815As reactantuspto-grants-2001_05
HRID 2157509 reaction equation
HRID 2157509As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes