Name: Name:Methyl 4-(3-nitrophenyl)benzoate
Brand: AABLOCKS
SKU: AA00GTCW
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00GTCW

Chemical Name: Methyl 4-(3-nitrophenyl)benzoate

CAS Number: 89900-93-6

Molecular Formula: C14H11NO4

Molecular Weight: 257.2414

MDL Number: MFCD01846431

SMILES: COC(=O)c1ccc(cc1)c1cccc(c1)[N+](=O)[O-]

Properties

Complexity: 331

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 19

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.7

Downstream Synthesis Route

93-58-3

16278-29-8

83527-96-2

89900-93-6

[1]Kenneretal.[Tetrahedron,1957,vol.1,p.259,267]

89900-93-6

5737-85-9

[1]Kenneretal.[Tetrahedron,1957,vol.1,p.259,267]

[2]Ananthakrishnanadar,Ponnambalanad.;Kannan,Nagarathnam[JournaloftheChemicalSociety.PerkintransactionsII,1984,#1,p.35-38]

67-56-1

5737-85-9

89900-93-6

[1]Ananthakrishnanadar,Ponnambalanad.;Kannan,Nagarathnam[JournaloftheChemicalSociety.PerkintransactionsII,1984,#1,p.35-38]

89900-93-6

159503-24-9

[1]Uehling,DavidE.;Shearer,BarryG.;Donaldson,KellyH.;Chao,EstherY.;Deaton,DavidN.;Adkison,KimK.;Brown,KathleenK.;Cariello,NealF.;Faison,WalterL.;Lancaster,MaryE.;Lin,Jasmine;Hart,Robert;Milliken,TulaO.;Paulik,MarkA.;Sherman,BryanW.;Sugg,ElizabethE.;Cowan,Conrad[JournalofMedicinalChemistry,2006,vol.49,#9,p.2758-2771]

[2]Dear,AnthonyE.;Liu,Hongbin;Mountford,Simon;Robinson,Andrea;Sama,GopalR.;Thompson,Phillip[BioorganicandMedicinalChemistryLetters,2020,vol.30,#16]

[3]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2004/101533,2004,A1Locationinpatent:Page102-103

[4]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-US5599813,1997,A

[5]CurrentPatentAssignee:ASSEMBLYBIOSCIENCES,INC.;INDIANAUNIVERSITY-WO2015/138895,2015,A1Locationinpatent:Paragraph000405

89900-93-6 | Methyl 4-(3-nitrophenyl)benzoate