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· · COA & SDS available for every product · Same-day shipping on in-stock items 3'-Nitropropiophenone - ≥98%(GC) , CAS No.17408-16-1
Synonyms
1-Propanone, 1-(3-nitrophenyl)-|Pyrimidine, 2-amino-4-methoxy-6-methyl-|PROPIOPHENONE, 3'-NITRO-|1-(3-NITROPHENYL)-1-PROPANONE|1-(3-nitrophenyl)propan-1-one|Benzenesulfinamide, 4-methyl-|m-Nitropropiophenone|m-nitropropio-phenone|3-Nitrophenyl Ethyl Ketone|(3'-Nitropropiophenone)|3`-Nitropropiophenone|3'-Nitropropiophenone|3-Nitropropiophenone|1-(3-nitrophenyl)propan-l-one
Specifications Synonyms
1-Propanone, 1-(3-nitrophenyl)- | Pyrimidine, 2-amino-4-methoxy-6-methyl- | PROPIOPHENONE, 3'-NITRO- | 1-(3-NITROPHENYL)-1-PROPANONE | 1-(3-nitrophenyl)propan-1-one | Benzenesulfinamide, 4-methyl- | m-Nitropropiophenone | m-nitropropio-phenone | 3-Nitrophenyl Ethyl Ketone | (3'-Nitropropiophenone) | 3`-Nitropropiophenone | 3'-Nitropropiop Show more
Specifications & Purity
≥98%(GC)
Names and Identifiers Canonical Smiles
CCC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
IUPAC Name
1-(3-nitrophenyl)propan-1-one
InChIKey
VSPOTMOYDHRALZ-UHFFFAOYSA-N
INCHI
1S/C9H9NO3/c1-2-9(11)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H3
Isomeric SMILES
CCC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1954069&ln=
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Phenylpropanes Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Aryl alkyl ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Nitrobenzene - Phenylpropane - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties x_melt_point_char 100 °C Molecular Weight 179.170 g/mol XLogP3 1.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 179.058 Da Monoisotopic Mass 179.058 Da Topological Polar Surface Area 62.900 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 209.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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