4-(3-Chloro-3-oxoprop-1-en-1-yl)-1,2-phenylene diacetate

HCID 54533033
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Basic information

CAS
82592-68-5
Standard SMILES
CC(=O)Oc1ccc(C=CC(=O)Cl)cc1OC(C)=O
InChIKey
YXWAVXQOQBBLQZ-UHFFFAOYSA-N
Molecular formula
C13H11ClO5
Average molar mass
282.67 g/mol
Monoisotopic mass
282.02950113

Names & identifiers

Preferred name
4-(3-Chloro-3-oxoprop-1-en-1-yl)-1,2-phenylene diacetate
IUPAC
[2-acetyloxy-4-(3-chloro-3-oxoprop-1-enyl)phenyl] acetate

Names & synonyms

82592-68-5SCHEMBL5934912DTXSID00712015YXWAVXQOQBBLQZ-UHFFFAOYSA-N4-(3-Chloro-3-oxoprop-1-en-1-yl)-1,2-phenylene diacetate

Database identifiers

CAS
82592-68-5
PubChem CID
54533033
DTXSID
DTXSID00712015

Properties

Computed structural propertiesFilling in

XLogP
2.4
Topological polar surface area
69.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
19

Related reactions

3 records
New reaction record

Compound notes

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