3-(3,4-Dichlorophenoxy)benzaldehyde - CAS 79124-76-8

Catalog:	BB036293
Product Name:	3-(3,4-Dichlorophenoxy)benzaldehyde
CAS:	79124-76-8
Synonyms:	3-(3,4-dichlorophenoxy)benzaldehyde

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Computed Properties

IUPAC Name:	3-(3,4-dichlorophenoxy)benzaldehyde
Description:	3-(3,4-Dichlorophenoxy)benzaldehyde (CAS# 79124-76-8 ) is a useful research chemical.
Molecular Weight:	267.11
Molecular Formula:	C13H8Cl2O2
Canonical SMILES:	C1=CC(=CC(=C1)OC2=CC(=C(C=C2)Cl)Cl)C=O
InChI:	InChI=1S/C13H8Cl2O2/c14-12-5-4-11(7-13(12)15)17-10-3-1-2-9(6-10)8-16/h1-8H
InChI Key:	ABQHJSHFFLAGHF-UHFFFAOYSA-N
Boiling Point:	395.2 °C at 760 mmHg
Density:	1.348 g/cm³
MDL:	MFCD00003354
LogP:	4.59820

Publication Number	Title	Priority Date
WO-2017106552-A1	Potentiators of beta-lactam antibiotics and combination therapy	20151215
EP-3303333-B1	Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity	20150601
US-2016346271-A1	Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity	20150601
US-9662323-B2	Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity	20150601
EP-2794620-B1	Bodipy structure fluorescence probes for diverse biological applications	20111222

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, P391, and P501
Signal Word:	Danger

Complexity:	260
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	265.9901349
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	265.9901349
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2