4-(4-Nitrophenyl)morpholin-3-one - CAS 446292-04-2

Catalog:	BB025670
Product Name:	4-(4-Nitrophenyl)morpholin-3-one
CAS:	446292-04-2
Synonyms:	4-(4-nitrophenyl)-3-morpholinone; 4-(4-nitrophenyl)morpholin-3-one

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Computed Properties

IUPAC Name:	4-(4-nitrophenyl)morpholin-3-one
Description:	Reagent used in the preparation of various Morpholine based pharmaceuticals. Rivaroxaban Impurity 52.
Molecular Weight:	222.20
Molecular Formula:	C10H10N2O4
Canonical SMILES:	C1COCC(=O)N1C2=CC=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C10H10N2O4/c13-10-7-16-6-5-11(10)8-1-3-9(4-2-8)12(14)15/h1-4H,5-7H2
InChI Key:	OWMGEFWSGOTGAU-UHFFFAOYSA-N
Boiling Point:	516.802 °C at 760 mmHg
Density:	1.379 g/cm³
MDL:	MFCD08236741
LogP:	1.54620

Publication Number	Title	Priority Date
CN-111721858-A	Method for determining genotoxic impurities in rivaroxaban	20200603
CN-112939893-A	Synthesis method of 4- (4-aminophenyl) -3-morpholinone	20191210
JP-2020097547-A	Process for producing 4-(4-aminophenyl)-3-morpholinone	20181219
CN-110746370-A	Preparation method of 4- (4-aminophenyl) morpholine-3-one	20180723
WO-2020019529-A1	Preparation method for 4-(4-aminophenyl)morpholin-3-one	20180723

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Related Functional Groups

Carbonyl Compounds

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[1035840-45-9]
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[1006443-01-1]
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[91552-11-3]
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[865774-78-3]
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[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	281
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.06405680
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.06405680
Rotatable Bond Count:	1
Topological Polar Surface Area:	75.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8