5-Bromo-2-methyl-3-nitrobenzoic Acid - CAS 107650-20-4

Catalog:	BB002114
Product Name:	5-Bromo-2-methyl-3-nitrobenzoic Acid
CAS:	107650-20-4
Synonyms:	5-bromo-2-methyl-3-nitrobenzoic acid; 5-bromo-2-methyl-3-nitrobenzoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-2-methyl-3-nitrobenzoic acid
Description:	5-Bromo-2-methyl-3-nitrobenzoic Acid (CAS# 107650-20-4) is a reactant in the preparation of EPZ005687 (E592200), a potent and selective inhibitor of EZH2.
Molecular Weight:	260.04
Molecular Formula:	C8H6BrNO4
Canonical SMILES:	CC1=C(C=C(C=C1C(=O)O)Br)[N+](=O)[O-]
InChI:	InChI=1S/C8H6BrNO4/c1-4-6(8(11)12)2-5(9)3-7(4)10(13)14/h2-3H,1H3,(H,11,12)
InChI Key:	DXUUJILVHXQDCV-UHFFFAOYSA-N
Boiling Point:	376.983 ℃ at 760 mmHg
Density:	1.778 g/cm³
MDL:	MFCD07357316
LogP:	2.88710

Publication Number	Title	Priority Date
TW-202005967-A	Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase	20180705
CN-109467509-B	Preparation method of substituted nitrobenzene compounds	20170908
CN-111093645-A	Selective inhibitors of clinically important mutants of EGFR tyrosine kinase	20170705
EP-3648753-A1	Selective inhibitors of clinically important mutants of the egfr tyrosine kinase	20170705
KR-20200028966-A	Selective inhibitor of clinically important mutants of EFGR tyrosine kinase	20170705

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Complexity:	252
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.94802
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	258.94802
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3