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3-bromo-7-nitro-1H-indole-2-carboxamide

HCID 68825152
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(=O)c1[nH]c2c([N+](=O)[O-])cccc2c1Br
InChIKey
LMGNEVLTKBPIFG-UHFFFAOYSA-N
Molecular formula
C9H6BrN3O3
Average molar mass
284.07 g/mol

Names & identifiers

Preferred name
3-bromo-7-nitro-1H-indole-2-carboxamide
IUPAC
3-bromo-7-nitro-1H-indole-2-carboxamide

Names & synonyms

3-bromo-7-nitro-1H-indole-2-carboxamideSCHEMBL3881059LMGNEVLTKBPIFG-UHFFFAOYSA-NDB-212079890435-09-3

Database identifiers

PubChem CID
68825152

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
105 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
320

Related reactions

2 records
New reaction record
HRID 230566 reaction equation
HRID 230566As productuspto-grants-2009_07
HRID 2148321 reaction equation
HRID 2148321As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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