3,5-Dichloro-4-methoxybenzaldehyde - CAS 41727-58-6

Catalog:	BB024941
Product Name:	3,5-Dichloro-4-methoxybenzaldehyde
CAS:	41727-58-6
Synonyms:	3,5-dichloro-4-methoxybenzaldehyde; 3,5-dichloro-4-methoxybenzaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	3,5-dichloro-4-methoxybenzaldehyde
Description:	3,5-Dichloro-4-methoxybenzaldehyde (CAS# 41727-58-6) is a useful research chemical.
Molecular Weight:	205.04
Molecular Formula:	C8H6Cl2O2
Canonical SMILES:	COC1=C(C=C(C=C1Cl)C=O)Cl
InChI:	InChI=1S/C8H6Cl2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-4H,1H3
InChI Key:	LEEKELDJRCUBEM-UHFFFAOYSA-N
Boiling Point:	328.9 °C at 760 mmHg
Density:	1.474 g/cm³
MDL:	MFCD04070684
LogP:	2.70020

Publication Number	Title	Priority Date
WO-2021108023-A1	Penicillin-binding protein inhibitors	20191126
CA-2799653-A1	Substituted isoquinolines and their use as tubulin polymerization inhibitors	20100604
EP-2576514-A1	Substituted isoquinolines and their use as tubulin polymerization inhibitors	20100604
US-2013131018-A1	Substituted isoquinolines and their use as tubulin polymerization inhibitors	20100604
WO-2011151423-A1	Substituted isoquinolines and their use as tubulin polymerization inhibitors	20100604

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Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.9744848
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.9744848
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9