Methyl 4-Methyl-3,5-dinitrobenzoate - CAS 49592-71-4

Name: Methyl 4-Methyl-3,5-dinitrobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026741
Product Name:	Methyl 4-Methyl-3,5-dinitrobenzoate
CAS:	49592-71-4
Synonyms:	4-methyl-3,5-dinitrobenzoic acid methyl ester; methyl 4-methyl-3,5-dinitrobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 4-methyl-3,5-dinitrobenzoate
Description:	Methyl 4-Methyl-3,5-dinitrobenzoate (CAS# 49592-71-4) is a useful research chemical.
Molecular Weight:	240.17
Molecular Formula:	C9H8N2O6
Canonical SMILES:	CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC)[N+](=O)[O-]
InChI:	InChI=1S/C9H8N2O6/c1-5-7(10(13)14)3-6(9(12)17-2)4-8(5)11(15)16/h3-4H,1-2H3
InChI Key:	GQPWXQIRPQMEIJ-UHFFFAOYSA-N
Boiling Point:	359.8 °C at 760 mmHg
Density:	1.435 g/cm³
LogP:	2.64440

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

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WO-2020185755-A1	Tyk2 inhibitors and uses thereof	20190311
US-2013225858-A1	Arylamine compound	20120228
US-9293713-B2	Arylamine compound	20120228
US-2013095605-A1	Leaving substituent-containing compound, organic semiconductor material formed therefrom, organic electronic device, organic thin-film transistor and display device using the organic semiconductor material, method for producing film-like product, pi-electron conjugated compound and method for producing the pi electron conjugated compound	20100615
CN-102548987-A	Fluoro-substituted compounds as kinase inhibitors and methods of use thereof	20090714

Complexity:	309
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.03823598
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	240.03823598
Rotatable Bond Count:	2
Topological Polar Surface Area:	118
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7