1-Bromo-2-methyl-3,4-dinitrobenzene - CAS 290353-57-0

Catalog:	BB020056
Product Name:	1-Bromo-2-methyl-3,4-dinitrobenzene
CAS:	290353-57-0
Synonyms:	1-bromo-2-methyl-3,4-dinitrobenzene; 1-bromo-2-methyl-3,4-dinitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-bromo-2-methyl-3,4-dinitrobenzene
Description:	1-Bromo-2-methyl-3,4-dinitrobenzene (CAS# 290353-57-0) is a useful research chemical.
Molecular Weight:	261.03
Molecular Formula:	C7H5BrN2O4
Canonical SMILES:	CC1=C(C=CC(=C1[N+](=O)[O-])[N+](=O)[O-])Br
InChI:	InChI=1S/C7H5BrN2O4/c1-4-5(8)2-3-6(9(11)12)7(4)10(13)14/h2-3H,1H3
InChI Key:	OXYXHHOXCIPFBY-UHFFFAOYSA-N
MDL:	MFCD18642363
LogP:	3.62030

Publication Number	Title	Priority Date
EP-2748159-A1	Serine/threonine pak1 inhibitors	20110825
JP-2014524456-A	Serine / threonine PAK1 inhibitor	20110825
KR-20140062079-A	Serine / threonine PAK1 inhibitor	20110825
US-2013225620-A1	Serine/threonine kinase inhibitors	20110825
US-8637537-B2	Serine/threonine kinase inhibitors	20110825

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Related Functional Groups

Nitrogen Compounds

[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[618-40-6]
1-Methyl-1-phenylhydrazine

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Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.94327
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	259.94327
Rotatable Bond Count:	0
Topological Polar Surface Area:	91.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6