Ethyl-4-iodo-benzoate benzoate

HCID 69887287
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Basic information

Standard SMILES
CCOC(=O)c1ccc(I)cc1.O=C(O)c1ccccc1
InChIKey
ZLYAVLJWASGGJQ-UHFFFAOYSA-N
Molecular formula
C16H15IO4
Average molar mass
398.19 g/mol

Names & identifiers

Preferred name
Ethyl-4-iodo-benzoate benzoate
IUPAC
benzoic acid;ethyl 4-iodobenzoate

Names & synonyms

ethyl-4-iodo-benzoate benzoateSCHEMBL6757122ZLYAVLJWASGGJQ-UHFFFAOYSA-N

Database identifiers

PubChem CID
69887287

Properties

Computed structural properties

Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
21

Related reactions

18 records
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Linked notes

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