Methyl 6-Amino-3-bromo-2-methylbenzoate - CAS 573692-58-7

Catalog:	BB029671
Product Name:	Methyl 6-Amino-3-bromo-2-methylbenzoate
CAS:	573692-58-7
Synonyms:	6-amino-3-bromo-2-methylbenzoic acid methyl ester; methyl 6-amino-3-bromo-2-methylbenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 6-amino-3-bromo-2-methylbenzoate
Description:	Methyl 6-Amino-3-bromo-2-methylbenzoate (CAS# 573692-58-7) is a useful research chemical.
Molecular Weight:	244.09
Molecular Formula:	C9H10BrNO2
Canonical SMILES:	CC1=C(C=CC(=C1C(=O)OC)N)Br
InChI:	InChI=1S/C9H10BrNO2/c1-5-6(10)3-4-7(11)8(5)9(12)13-2/h3-4H,11H2,1-2H3
InChI Key:	FDOYATWYGLRGGF-UHFFFAOYSA-N
Boiling Point:	293.8±35.0 °C / 760 mmHg
Storage:	Keep in dark place. Inert atmosphere. Keep cold.
MDL:	MFCD16036438
LogP:	2.70750

Publication Number	Title	Priority Date
WO-2020224607-A1	Ezh2 inhibitor and use thereof	20190507
WO-2012061602-A1	Isoindolinone kinase inhibitors	20101103
CA-2527814-A1	Isoindolin-1-one compounds as kinase inhibitors	20030602
EP-1633710-A1	Isoindolin-1-one compounds as kinase inhibitors	20030602
JP-2006526648-A	Isoindoline-1-one compounds as kinase inhibitors	20030602

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.98949
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.98949
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7