Name: Name:5-Fluoro-N-methyl-2-nitroaniline
Brand: AABLOCKS
SKU: AA00948Z
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00948Z

Chemical Name: 5-Fluoro-N-methyl-2-nitroaniline

CAS Number: 120381-42-2

Molecular Formula: C7H7FN2O2

Molecular Weight: 170.1411

MDL Number: MFCD16744213

SMILES: CNc1cc(F)ccc1[N+](=O)[O-]

Properties

Complexity: 171

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 12

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.2

Downstream Synthesis Route

120381-42-2

348133-46-0

[1]CurrentPatentAssignee:BEBETTERMED-EP3345900,2018,A1Locationinpatent:Paragraph0217

[2]Hasford,JustinJ.;Rizzo,CarmeloJ.[JournaloftheAmericanChemicalSociety,1998,vol.120,#10,p.2251-2255]

[3]CurrentPatentAssignee:MERCK&COINC-WO2012/12478,2012,A1Locationinpatent:Page/Pagecolumn30

[4]CurrentPatentAssignee:GLENMARKPHARMACEUTICALSLTD-WO2013/153539,2013,A1Locationinpatent:Page/Pagecolumn43

[5]CurrentPatentAssignee:ANEOCHEM-TECHCOLTD-CN108912095,2018,ALocationinpatent:Paragraph0213;0217;0218

[6]Xie,Haibo;Yang,Ka;Winston-McPherson,GabrielleN.;Stapleton,DonnieS.;Keller,MarkP.;Attie,AlanD.;Smith,KerryA.;Tang,Weiping[EuropeanJournalofMedicinalChemistry,2020,vol.206]

120381-42-2

77778-64-4

[1]Hasford,JustinJ.;Rizzo,CarmeloJ.[JournaloftheAmericanChemicalSociety,1998,vol.120,#10,p.2251-2255]

120381-42-2

8-Fluoro-10-methyl-10H-benzogpteridine-2,4-dione

[1]Hasford,JustinJ.;Rizzo,CarmeloJ.[JournaloftheAmericanChemicalSociety,1998,vol.120,#10,p.2251-2255]

2,2,2-trifluoro-N-(5-fluoro-2-nitrophenyl)acetamide

77-78-1

120381-42-2

[1]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-US2004/122237,2004,A1Locationinpatent:Page181

2-(1H-1,2,4-triazol-1-ylmethyl)-4-(trifluoromethyl)phenol

584-08-7

120381-42-2

N-methyl-2-nitro-5-2-(1H-1,2,4-triazol-1-ylmethyl)-4-(trifluoromethyl)phenoxyaniline

[1]CurrentPatentAssignee:MOCHIDAPHARMACEUTICALCOLTD-US5587392,1996,A

120381-42-2 | 5-Fluoro-N-methyl-2-nitroaniline