HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

4-(4-Bromo-phenyl)-1H-indole

HCID 22561934
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

SCHEMBL63220614-(4-Bromo-phenyl)-1H-indoleYYBNPGVMMVNQST-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

Related reactions

5 records
New reaction record
HRID 982979 reaction equation
HRID 982979As productuspto-grants-2005_03
HRID 983009 reaction equation
HRID 983009As reactantuspto-grants-2005_03
HRID 1839577 reaction equation
HRID 1839577As productuspto-grants-2004_01
HRID 1839607 reaction equation
HRID 1839607As reactantuspto-grants-2004_01
HRID 2136885 reaction equation
HRID 2136885As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes