5'-Chloro-2'-nitroacetophenone - CAS 18640-60-3

Catalog:	BB014315
Product Name:	5'-Chloro-2'-nitroacetophenone
CAS:	18640-60-3
Synonyms:	1-(5-chloro-2-nitrophenyl)ethanone; 1-(5-chloro-2-nitrophenyl)ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(5-chloro-2-nitrophenyl)ethanone
Description:	5'-Chloro-2'-nitroacetophenone (CAS# 18640-60-3) is a useful research chemical.
Molecular Weight:	199.59
Molecular Formula:	C8H6ClNO3
Canonical SMILES:	CC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C8H6ClNO3/c1-5(11)7-4-6(9)2-3-8(7)10(12)13/h2-4H,1H3
InChI Key:	HVXQVXNQKCPSLH-UHFFFAOYSA-N
Boiling Point:	332.2 °C at 760 mmHg
Density:	1.378 g/cm³
MDL:	MFCD03787322
LogP:	2.97400

Publication Number	Title	Priority Date
AU-2014281398-A1	Substituted (E)-N'-(1-phenylethylidene) benzohydrazide analogs as histone demethylase inhibitors	20130619
AU-2014281398-B2	Substituted (E)-N'-(1-phenylethylidene) benzohydrazide analogs as histone demethylase inhibitors	20130619
CA-2915817-A1	Substituted (e)-n'-(1-phenylethylidene) benzohydrazide analogs as histone demethylase inhibitors	20130619
EP-3010915-A1	Substituted (e)-n'-(1-phenylethylidene) benzohydrazide analogs as histone demethylase inhibitors	20130619
EP-3010915-B1	Substituted (3-(5-chloro-2-hydroxyphenyl)-1-benzoyl-1h-pyrazole compounds as histone demethylase inhibitors	20130619

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.0036207
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.0036207
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9