Methyl 6-Bromo-2-methyl-3-nitrobenzoate - CAS 731810-03-0

Catalog:	BB034789
Product Name:	Methyl 6-Bromo-2-methyl-3-nitrobenzoate
CAS:	731810-03-0
Synonyms:	6-bromo-2-methyl-3-nitrobenzoic acid methyl ester; methyl 6-bromo-2-methyl-3-nitrobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 6-bromo-2-methyl-3-nitrobenzoate
Description:	Methyl 6-Bromo-2-methyl-3-nitrobenzoate (CAS# 731810-03-0 ) is a useful research chemical.
Molecular Weight:	274.07
Molecular Formula:	C9H8BrNO4
Canonical SMILES:	CC1=C(C=CC(=C1C(=O)OC)Br)[N+](=O)[O-]
InChI:	InChI=1S/C9H8BrNO4/c1-5-7(11(13)14)4-3-6(10)8(5)9(12)15-2/h3-4H,1-2H3
InChI Key:	OBAPNCIKBLBVIO-UHFFFAOYSA-N
LogP:	2.97550

Publication Number	Title	Priority Date
US-2007161648-A1	Substituted dihydro-isoindolones useful in treating kinase disorders	20051014
WO-2007047646-A2	Substituted dihydro-isoindolones useful in treating kinase disorders	20051014
AU-2004203977-A1	Diazepinoindole derivatives as kinase inhibitors	20030109
AU-2004203977-B2	Diazepinoindole derivatives as kinase inhibitors	20030109
CA-2512683-C	Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy	20030109

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Complexity:	265
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	272.96367
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	272.96367
Rotatable Bond Count:	2
Topological Polar Surface Area:	72.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7