4-Bromo-2,6-dimethylbenzoic Acid - CAS 74346-19-3

Catalog:	BB035071
Product Name:	4-Bromo-2,6-dimethylbenzoic Acid
CAS:	74346-19-3
Synonyms:	4-bromo-2,6-dimethylbenzoic acid; 4-bromo-2,6-dimethylbenzoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromo-2,6-dimethylbenzoic acid
Description:	4-Bromo-2,6-dimethylbenzoic Acid (CAS# 74346-19-3) is a useful research chemical.
Molecular Weight:	229.07
Molecular Formula:	C9H9BrO2
Canonical SMILES:	CC1=CC(=CC(=C1C(=O)O)C)Br
InChI:	InChI=1S/C9H9BrO2/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:	DJZAABLAECNINV-UHFFFAOYSA-N
Boiling Point:	321.106 °C at 760 mmHg
Density:	1.52 g/cm³
MDL:	MFCD09965997
LogP:	2.76410

Publication Number	Title	Priority Date
CN-112250700-A	BODIPY (boron dipyrromethene) protein misfolding probe Halo-BODIPY as well as preparation method and application thereof	20200904
KR-20210081285-A	Novel Amide Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2	20191223
WO-2021133038-A1	Novel amide derivative useful as diacylglycerol acyltransferase 2 inhibitor, and use thereof	20191223
CN-109970551-B	Preparation method of o-methyl aryl formic acid derivative	20190415
WO-2020116660-A1	Macrocyclic compound and use thereof	20181205

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Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.97859
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	227.97859
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9