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

1-Bromo-4-cyclobutylbenzene

HCID 57185092
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Brc1ccc(C2CCC2)cc1
InChIKey
LXAHIRNAGNLEOU-UHFFFAOYSA-N
Molecular formula
C10H11Br
Average molar mass
211.1 g/mol

Names & identifiers

Preferred name
1-Bromo-4-cyclobutylbenzene
IUPAC
1-bromo-4-cyclobutylbenzene

Names & synonyms

1-Bromo-4-cyclobutylbenzene39868-71-81-bromo-4-cyclobutyl-benzene4-CYCLOBUTYLBROMOBENZENEBenzene, 1-bromo-4-cyclobutyl-MFCD19439999bromo-4-cyclobutyl-benzeneSCHEMBL233178SCHEMBL28125238SCHEMBL28295909LXAHIRNAGNLEOU-UHFFFAOYSA-NPBA86871
Show more names
1-Bromo-4-cyclobutylbenzene, 95%XH0679AKOS015946405AB91734CS-35624SY524535DB-340229CS-0093710

Database identifiers

PubChem CID
57185092

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
121

Related reactions

9 records
New reaction record
HRID 19765 reaction equation
HRID 19765As productuspto-grants-2010_06
HRID 19766 reaction equation
HRID 19766As reactantuspto-grants-2010_06
HRID 122379 reaction equation
HRID 122379As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 855322 reaction equation
HRID 855322As productuspto-grants-2007_08
HRID 855323 reaction equation
HRID 855323As reactantuspto-grants-2007_08
HRID 855327 reaction equation
HRID 855327As reactantuspto-grants-2007_08
HRID 1551936 reaction equation
HRID 1551936As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2244307 reaction equation
HRID 2244307As productuspto-grants-2010_03
Page 1 of 2

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes