Name: Name:2-Methyl-3-(trifluoromethyl)benzoyl chloride
Brand: AABLOCKS
SKU: AA002S4I
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA002S4I

Chemical Name: 2-Methyl-3-(trifluoromethyl)benzoyl chloride

CAS Number: 261952-07-2

Molecular Formula: C9H6ClF3O

Molecular Weight: 222.5915

MDL Number: MFCD00144374

SMILES: ClC(=O)c1cccc(c1C)C(F)(F)F

Properties

Complexity: 227

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 14

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.7

Downstream Synthesis Route

62089-35-4

261952-07-2

[1]Patent:WO2013/162072,2013,A1.Locationinpatent:Page/Pagecolumn908

[2]Patent:WO2013/162077,2013,A1.Locationinpatent:Paragraph0508

[3]Patent:EP2927218,2015,A1.Locationinpatent:Paragraph0801

[4]Patent:EP2940012,2015,A1.Locationinpatent:Paragraph0771

[5]JournalofMedicinalChemistry,2018,vol.61,p.207-223

[6]Chemistry-AEuropeanJournal,2019,vol.25,p.6915-6919

261952-07-2 | 2-Methyl-3-(trifluoromethyl)benzoyl chloride