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-Bromo-2-(4-chlorobenzyl)-1-fluorobenzene

HCID 66615926
NotesReactions

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Fc1ccc(Br)cc1Cc1ccc(Cl)cc1
InChIKey
XPDXCAVBWPPLJB-UHFFFAOYSA-N
Molecular formula
C13H9BrClF
Average molar mass
299.56 g/mol
Monoisotopic mass
297.95602

Names & identifiers

Preferred name
4-Bromo-2-(4-chlorobenzyl)-1-fluorobenzene
IUPAC
4-bromo-2-[(4-chlorophenyl)methyl]-1-fluorobenzene

Names & synonyms

1210344-21-04-Bromo-2-(4-chlorobenzyl)-1-fluorobenzene4-Bromo-2-[(4-chlorophenyl)methyl]-1-fluoro-benzeneMFCD289728254-Bromo-2-(4-chloro-benzyl)-1-fluoro-benzeneC13H9BrClFSCHEMBL181115XPDXCAVBWPPLJB-UHFFFAOYSA-NAKOS0407678822-(4-chlorobenzyl)-4-bromo-1-fluorobenzeneCS-0191393H73657

Database identifiers

PubChem CID
66615926

Properties

Computed structural propertiesFilling in

XLogP
5.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
216

Related reactions

3 records
New reaction record
HRID 659888 reaction equation
HRID 659888As productuspto-grants-2011_12
HRID 659900 reaction equation
HRID 659900As reactantuspto-grants-2011_12
HRID 664257 reaction equation
HRID 664257As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes