Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
Benzyl 2-(chloromethoxycarbonyloxy)propanoate (HCID 17814601)|Huagongshe
Home
/
Compound
Benzyl 2-(chloromethoxycarbonyloxy)propanoate
HCID
17814601
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CC(OC(=O)OCCl)C(=O)OCc1ccccc1
InChIKey
HZJNSZZTAMRMPR-UHFFFAOYSA-N
Molecular formula
C12H13ClO5
Average molar mass
272.68 g/mol
Names & identifiers
Preferred name
Benzyl 2-(chloromethoxycarbonyloxy)propanoate
IUPAC
benzyl 2-(chloromethoxycarbonyloxy)propanoate
Names & synonyms
SCHEMBL5403501
Database identifiers
PubChem CID
17814601
Properties
Computed structural properties
XLogP
3
Topological polar surface area
61.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
18
Formal charge
0
Complexity
276
Show all 8
Show all 8 / 8
Related reactions
2 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
137821
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
153410
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
Loading…