Methyl 2-Bromo-6-methylbenzoate - CAS 99548-56-8

Catalog:	BB042307
Product Name:	Methyl 2-Bromo-6-methylbenzoate
CAS:	99548-56-8
Synonyms:	2-bromo-6-methylbenzoic acid methyl ester; methyl 2-bromo-6-methylbenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-bromo-6-methylbenzoate
Description:	Methyl 2-Bromo-6-methylbenzoate (CAS# 99548-56-8) is a useful research chemical.
Molecular Weight:	229.07
Molecular Formula:	C9H9BrO2
Canonical SMILES:	CC1=C(C(=CC=C1)Br)C(=O)OC
InChI:	InChI=1S/C9H9BrO2/c1-6-4-3-5-7(10)8(6)9(11)12-2/h3-5H,1-2H3
InChI Key:	DDJSNWUTQDNGIZ-UHFFFAOYSA-N
Boiling Point:	254.288 °C at 760 mmHg
Density:	1.434 g/cm³
MDL:	MFCD09260938
LogP:	2.54410

Publication Number	Title	Priority Date
US-2020369679-A1	Protein-targeting compounds and pharmaceutical compositions thereof, and their therapeutic applications	20190524
WO-2020242960-A1	Compounds targeting proteins and pharmaceutical compositions thereof, and their therapeutic applications	20190524
WO-2020177629-A1	Spiro-substituted pyrimidine-fused cyclic compound, preparation method therefor and medical use thereof	20190301
WO-2020023356-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20180723
WO-2019204550-A1	Isoindolines as hdac inhibitors	20180420

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Complexity:	170
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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	227.97859
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8