Name: Name:1-(Bromomethyl)-2-fluoro-4-nitrobenzene
Brand: AABLOCKS
SKU: AA000WV6
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA000WV6

Chemical Name: 1-(Bromomethyl)-2-fluoro-4-nitrobenzene

CAS Number: 127349-56-8

Molecular Formula: C7H5BrFNO2

Molecular Weight: 234.0225

MDL Number: MFCD10000853

SMILES: BrCc1ccc(cc1F)[N+](=O)[O-]

Properties

Complexity: 173

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: 3

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.4

Downstream Synthesis Route

1427-07-2

127349-56-8

[1]Patent:WO2010/34740,2010,A1.Locationinpatent:Page/Pagecolumn68

[2]Patent:EP2208728,2010,A1.Locationinpatent:Page/Pagecolumn123

[3]Patent:US2013/79377,2013,A1.Locationinpatent:Paragraph0544;0545

[4]Patent:US2013/79373,2013,A1.Locationinpatent:Paragraph0359-0360;0370-0371;0375-0376;0380-0381

[5]Patent:WO2013/45447,2013,A1.Locationinpatent:Page/Pagecolumn79

[6]Patent:WO2013/45452,2013,A1.Locationinpatent:Page/Pagecolumn65;66

[7]Patent:WO2014/12360,2014,A1.Locationinpatent:Paragraph00260

[8]Patent:US2015/87639,2015,A1.Locationinpatent:Paragraph0504

[9]Patent:TWI607995,2017,B.Locationinpatent:Page/Pagecolumn121

[10]Patent:US2013/79320,2013,A1.Locationinpatent:Paragraph0515;0516;0627;0628;0637

[11]Patent:WO2013/45451,2013,A1.Locationinpatent:Page/Pagecolumn61

[12]Patent:WO2013/68462,2013,A1.Locationinpatent:Page/Pagecolumn76;80;82

[13]MedicinalChemistryResearch,1999,vol.9,p.149-161

[14]Patent:WO2008/729,2008,A1.Locationinpatent:Page/Pagecolumn70

[15]Patent:US2011/34460,2011,A1.Locationinpatent:Page/Pagecolumn23

[16]Patent:US2013/79377,2013,A1.Locationinpatent:Paragraph0468;0469

[17]JournalofMedicinalChemistry,2017,vol.60,p.8801-8815

169447-70-5

127349-56-8

1000812-82-7

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2008/729,2008,A1Locationinpatent:Page/Pagecolumn71

442906-78-7

127349-56-8

442910-14-7

[1]Locationinpatent:experimentalpartGillespie,RogerJ.;Bamford,SamanthaJ.;Botting,Ruth;Comer,Mike;Denny,Sarah;Gaur,Suneel;Griffin,Michael;Jordan,AllanM.;Knight,AnthonyR.;Lerpiniere,Joanne;Leonardi,Stefania;Lightowler,Sean;McAteer,Steven;Merrett,Angela;Misra,Anil;Padfield,Antony;Reece,Mark;Saadi,Mona;Selwood,DanielL.;Stratton,GemmaC.;Surry,Dominic;Todd,Richard;Tong,Xin;Ruston,Vicki;Upton,Rebecca;Weiss,ScottM.[JournalofMedicinalChemistry,2009,vol.52,#1,p.33-47]

110-91-8

127349-56-8

503160-30-3

[1]CurrentPatentAssignee:SHENZHENDONGYANGGUANGINDUSTRIALDEVELOPMENTCOLTD-WO2014/12360,2014,A1Locationinpatent:Paragraph00262

[2]CurrentPatentAssignee:SHENZHENDONGYANGGUANGINDUSTRIALDEVELOPMENTCOLTD-US2015/87639,2015,A1Locationinpatent:Paragraph0505

[3]CurrentPatentAssignee:SHENZHENDONGYANGGUANGINDUSTRIALDEVELOPMENTCOLTD-TWI607995,2017,BLocationinpatent:Page/Pagecolumn121

[4]CurrentPatentAssignee:PALAUPHARMASA-WO2010/34740,2010,A1Locationinpatent:Page/Pagecolumn68-69

506-59-2

127349-56-8

1134541-48-2

[1]CurrentPatentAssignee:INSTITUTEOFMEDICINALMOLECULARDESIGNINC;SHIONOGI&CO.,LTD.-EP2208728,2010,A1Locationinpatent:Page/Pagecolumn123-124

127349-56-8 | 1-(Bromomethyl)-2-fluoro-4-nitrobenzene