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

3-Methoxycarbonylmethylphenylacetyl chloride

HCID 21463535
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)Cc1cccc(CC(=O)Cl)c1
InChIKey
AILUFWVZXRPAOU-UHFFFAOYSA-N
Molecular formula
C11H11ClO3
Average molar mass
226.65 g/mol

Names & identifiers

Preferred name
3-Methoxycarbonylmethylphenylacetyl chloride
IUPAC
methyl 2-[3-(2-chloro-2-oxoethyl)phenyl]acetate

Names & synonyms

SCHEMBL8655484AILUFWVZXRPAOU-UHFFFAOYSA-N3-methoxycarbonylmethylphenylacetyl chloride

Database identifiers

PubChem CID
21463535

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
15
Formal charge
0
Complexity
240

Related reactions

1 records
New reaction record
HRID 1940604 reaction equation
HRID 1940604As reactantuspto-grants-1997_12

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes