HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.9
  1. Home
  2. /Compound

2-Chloro-4-fluoro-5-diacetylaminotoluene

HCID 20032370
New noteNew reactionRequest quotesPrint preview
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)N(C(C)=O)c1cc(C)c(Cl)cc1F
InChIKey
FSWLWXDRKJHXJP-UHFFFAOYSA-N
Molecular formula
C11H11ClFNO2
Average molar mass
243.66 g/mol

Names & identifiers

Preferred name
2-Chloro-4-fluoro-5-diacetylaminotoluene
IUPAC
N-acetyl-N-(4-chloro-2-fluoro-5-methylphenyl)acetamide

Names & synonyms

SCHEMBL10575173FSWLWXDRKJHXJP-UHFFFAOYSA-N2-chloro-4-fluoro-5-diacetylaminotoluene

Database identifiers

PubChem CID
20032370

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
37.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
284

Suppliers

Loading…

Open inquiries

Loading…

Related reactions

2 records
New reaction record
HRID 231436 reaction equation
HRID 231436As reactantuspto-grants-1989_07
HRID 1561487 reaction equation
HRID 1561487As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes