Name: Name:6-Bromo-2-fluoro-3-(trifluoromethyl)benzoic acid
Brand: AABLOCKS
SKU: AA00082E
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00082E

Chemical Name: 6-Bromo-2-fluoro-3-(trifluoromethyl)benzoic acid

CAS Number: 1026962-68-4

Molecular Formula: C8H3BrF4O2

Molecular Weight: 287.0058

MDL Number: MFCD21365092

SMILES: OC(=O)c1c(Br)ccc(c1F)C(F)(F)F

Properties

Complexity: 256

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 15

Hydrogen Bond Acceptor Count: 6

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.1

Downstream Synthesis Route

1026962-68-4

177596-38-2

2267343-08-6

[1]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2019/14352,2019,A1Locationinpatent:Paragraph00831;00832

166312-49-8

1026962-68-4

2267342-62-9

[1]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2019/14352,2019,A1Locationinpatent:Paragraph00719;00723;00724

[2]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2020/146612,2020,A1Locationinpatent:Paragraph00358;00360

[3]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2020/146682,2020,A1Locationinpatent:Paragraph00342;00949

[4]CurrentPatentAssignee:ORIONOYJ-EP4043437,2022,A1Locationinpatent:Paragraph0093-0094

[5]CurrentPatentAssignee:ORIONOYJ-EP4043437,2022,A1Locationinpatent:Paragraph0093-0094

1026962-68-4 | 6-Bromo-2-fluoro-3-(trifluoromethyl)benzoic acid