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Compound
4-(4-Bromo-phenyl)-1H-indole
HCID
22561934
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
Brc1ccc(-c2cccc3[nH]ccc23)cc1
InChIKey
YYBNPGVMMVNQST-UHFFFAOYSA-N
Molecular formula
C14H10BrN
Average molar mass
272.14 g/mol
Names & identifiers
Preferred name
4-(4-Bromo-phenyl)-1H-indole
IUPAC
4-(4-bromophenyl)-1H-indole
Names & synonyms
SCHEMBL6322061
4-(4-Bromo-phenyl)-1H-indole
YYBNPGVMMVNQST-UHFFFAOYSA-N
Database identifiers
PubChem CID
22561934
Properties
Computed structural properties
XLogP
4.4
Topological polar surface area
15.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
235
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Related reactions
5 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
982979
As product
uspto-grants-2005_03
HRID
983009
As reactant
uspto-grants-2005_03
HRID
1839577
As product
uspto-grants-2004_01
HRID
1839607
As reactant
uspto-grants-2004_01
HRID
2136885
As product
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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Compound notes
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