2-Bromo-4,6-dimethoxybenzaldehyde - CAS 81574-69-8

Catalog:	BB036678
Product Name:	2-Bromo-4,6-dimethoxybenzaldehyde
CAS:	81574-69-8
Synonyms:	2-bromo-4,6-dimethoxybenzaldehyde; 2-bromo-4,6-dimethoxybenzaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	2-bromo-4,6-dimethoxybenzaldehyde
Description:	2-Bromo-4,6-dimethoxybenzaldehyde (CAS# 81574-69-8) is a useful research chemical.
Molecular Weight:	245.07
Molecular Formula:	C9H9BrO3
Canonical SMILES:	COC1=CC(=C(C(=C1)Br)C=O)OC
InChI:	InChI=1S/C9H9BrO3/c1-12-6-3-8(10)7(5-11)9(4-6)13-2/h3-5H,1-2H3
InChI Key:	PEKSAHQVDKQWST-UHFFFAOYSA-N
LogP:	2.27880

Publication Number	Title	Priority Date
CN-111116493-A	Method for preparing Apabetalone, intermediate and preparation method of intermediate	20191213
WO-2021107657-A1	Novel quinazoline redox derivative, and use as bet inhibitor	20191126
US-2020354373-A1	Hsp90 inhibitors and uses thereof	20190508
WO-2020227368-A1	Hsp90 inhibitors and uses thereof	20190508
CN-111902400-A	Aromatic derivatives, process for their preparation and their medical use	20190305

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Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.97351
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	243.97351
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2