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6-bromo-3-(1-(4-chlorophenyl)-2-nitroethyl)-1H-indole

HCID 67436718
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])CC(c1ccc(Cl)cc1)c1c[nH]c2cc(Br)ccc12
InChIKey
CXFFTJBOCRMJBU-UHFFFAOYSA-N
Molecular formula
C16H12BrClN2O2
Average molar mass
379.63 g/mol

Names & identifiers

Preferred name
6-bromo-3-(1-(4-chlorophenyl)-2-nitroethyl)-1H-indole
IUPAC
6-bromo-3-[1-(4-chlorophenyl)-2-nitroethyl]-1H-indole

Names & synonyms

SCHEMBL25185896-bromo-3-(1-(4-chlorophenyl)-2-nitroethyl)-1H-indoleCXFFTJBOCRMJBU-UHFFFAOYSA-N1171244-82-8DB-124230

Database identifiers

PubChem CID
67436718

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
61.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
22
Formal charge
0
Complexity
398

Related reactions

4 records
New reaction record
HRID 179469 reaction equation
HRID 179469As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 340121 reaction equation
HRID 340121As productuspto-grants-2014_11
HRID 521361 reaction equation
HRID 521361As productuspto-grants-2016_05
HRID 2192424 reaction equation
HRID 2192424As productuspto-grants-2012_12

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes