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

2,2'-Dimethylbiphenyl-4-carbonyl chloride

HCID 86645654
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccccc1-c1ccc(C(=O)Cl)cc1C
InChIKey
XUBIZDWHYWOPKF-UHFFFAOYSA-N
Molecular formula
C15H13ClO
Average molar mass
244.71 g/mol

Names & identifiers

Preferred name
2,2'-Dimethylbiphenyl-4-carbonyl chloride
IUPAC
3-methyl-4-(2-methylphenyl)benzoyl chloride

Names & synonyms

SCHEMBL2775065XUBIZDWHYWOPKF-UHFFFAOYSA-N2,2'-dimethylbiphenyl-4-carbonyl chlorideDB-3760012,2'-Dimethyl[1,1'-biphenyl]-4-carbonyl chloride917373-55-8

Database identifiers

PubChem CID
86645654

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
276

Related reactions

2 records
New reaction record
HRID 219924 reaction equation
HRID 219924As productuspto-grants-2012_06
HRID 702125 reaction equation
HRID 702125As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes