Name: Name:4,5-Dichloro-2-nitrobenzoic acid
Brand: AABLOCKS
SKU: AA00BPID
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00BPID

Chemical Name: 4,5-Dichloro-2-nitrobenzoic acid

CAS Number: 2011-09-8

Molecular Formula: C7H3Cl2NO4

Molecular Weight: 236.0090

MDL Number: MFCD17015364

SMILES: OC(=O)c1cc(Cl)c(cc1[N+](=O)[O-])Cl

Properties

Complexity: 255

Covalently-Bonded Unit Count: 1

Heavy Atom Count: 14

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 1

Rotatable Bond Count: 1

XLogP3: 2.7

Downstream Synthesis Route

7494-45-3

2011-09-8

[1]Ruggli;Zaeslin[HelveticaChimicaActa,1936,vol.19,p.434,437]

7664-93-9

7494-45-3

2011-09-8

[1]Ruggli;Zaeslin[HelveticaChimicaActa,1936,vol.19,p.434,437]

2011-09-8

952737-76-7

[1]CurrentPatentAssignee:THEUNIVERSITYOFAUCKLAND-WO2007/117161,2007,A1Locationinpatent:Page/Pagecolumn27

methyl4,5-dichloro-2-nitrobenzoate

2011-09-8

[1]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2004/224983,2004,A1Locationinpatent:Page25

[2]Allison,BrettD.;Phuong,VictorK.;McAtee,LauraC.;Rosen,Mark;Morton,Magda;Prendergas,Clodagh;Barrett,Terry;Lagaud,Guy;Freedman,Jamie;Li,Na;Wu,Xiaodong;Venkatesan,Hariharan;Pippel,Marna;Woods,Craig;Rizzolio,MichèleC.;Hack,Michael;Hoey,Kenway;Deng,Xiaohu;King,Christopher;Shankley,NigelP.;Rabinowitz,MichaelH.[JournalofMedicinalChemistry,2006,vol.49,#21,p.6371-6390]

2011-09-8

174566-54-2

[1]Allison,BrettD.;Phuong,VictorK.;McAtee,LauraC.;Rosen,Mark;Morton,Magda;Prendergas,Clodagh;Barrett,Terry;Lagaud,Guy;Freedman,Jamie;Li,Na;Wu,Xiaodong;Venkatesan,Hariharan;Pippel,Marna;Woods,Craig;Rizzolio,MichèleC.;Hack,Michael;Hoey,Kenway;Deng,Xiaohu;King,Christopher;Shankley,NigelP.;Rabinowitz,MichaelH.[JournalofMedicinalChemistry,2006,vol.49,#21,p.6371-6390]

[2]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2004/224983,2004,A1Locationinpatent:Page25

2011-09-8 | 4,5-Dichloro-2-nitrobenzoic acid