CAS
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4-[(2-Chlorobenzyl)oxy]-3-ethoxy-5-iodobenzaldehyde
Catalog Number
ACMA00002988
Category
Ethers
Molecular Weight
416.64
Molecular Formula
C16H13ClO4
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Specification
Hazard Statements
H318
RIDADR
NONH for all modes of transport
Symbol
GHS05
What is the molecular formula of the compound?
The molecular formula of the compound is C16H14ClIO3.
What are the synonyms of the compound?
The synonyms of the compound are 4-[(2-chlorobenzyl)oxy]-3-ethoxy-5-iodobenzaldehyde, 345985-65-1, 4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzaldehyde, CBMicro_009374, Oprea1_240983, and more.
What is the molecular weight of the compound?
The molecular weight of the compound is 416.64 g/mol.
When was the compound created and last modified?
The compound was created on July 29, 2005, and last modified on November 25, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzaldehyde.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C16H14ClIO3/c1-2-20-15-8-11(9-19)7-14(18)16(15)21-10-12-5-3-4-6-13(12)17/h3-9H,2,10H2,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is RTMNFFXXTGHIJF-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCOC1=C(C(=CC(=C1)C=O)I)OCC2=CC=CC=C2Cl.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 4.5.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count of the compound is 3.
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