2'-Methyl-3'-nitroacetophenone - CAS 75473-11-9

Catalog:	BB035337
Product Name:	2'-Methyl-3'-nitroacetophenone
CAS:	75473-11-9
Synonyms:	1-(2-methyl-3-nitrophenyl)ethanone; 1-(2-methyl-3-nitrophenyl)ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(2-methyl-3-nitrophenyl)ethanone
Description:	2'-Methyl-3'-nitroacetophenone (CAS# 75473-11-9) is a useful research chemical.
Molecular Weight:	179.17
Molecular Formula:	C9H9NO3
Canonical SMILES:	CC1=C(C=CC=C1[N+](=O)[O-])C(=O)C
InChI:	InChI=1S/C9H9NO3/c1-6-8(7(2)11)4-3-5-9(6)10(12)13/h3-5H,1-2H3
InChI Key:	HPQVXLJSJCOYFE-UHFFFAOYSA-N
Boiling Point:	250 °C
Density:	1.201 g/cm³
LogP:	2.62900

Publication Number	Title	Priority Date
US-2021230153-A1	Aryl hydrocarbon receptor (ahr) agonists and uses thereof	20191220
WO-2021127301-A1	4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders	20191220
AU-2015367540-A1	Substituted Pyridyl-cycloalkyl-carboxylic acids, compositions containing them and medical uses thereof	20141218
AU-2015367540-B2	Substituted Pyridyl-cycloalkyl-carboxylic acids, compositions containing them and medical uses thereof	20141218
CA-2970987-A1	Substituted pyridyl-cycloalkyl-carboxylic acids, compositions containing them and medical uses thereof	20141218

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Related Functional Groups

Carbonyl Compounds

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Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.058243149
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	179.058243149
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8