Name: Name:1-[1-(4-bromo-2-methylphenyl)-1H-1,2,3-triazol-4-yl]-2,2,2-trifluoroethan-1-one
Brand: Angene
SKU: AG01A613
Rating: 90 (10 reviews)

1-[1-(4-bromo-2-methylphenyl)-1H-1,2,3-triazol-4-yl]-2,2,2-trifluoroethan-1-one

CAS No.:

1461714-61-3

Catalog Number:

AG01A613

Molecular Formula:

C11H7BrF3N3O

Molecular Weight:

334.0920

Catalog Number:

AG01A613

Chemical Name:

1-[1-(4-bromo-2-methylphenyl)-1H-1,2,3-triazol-4-yl]-2,2,2-trifluoroethan-1-one

CAS Number:

1461714-61-3

Molecular Formula:

C11H7BrF3N3O

Molecular Weight:

334.0920

MDL Number:

MFCD17508158

IUPAC Name:

1-[1-(4-bromo-2-methylphenyl)triazol-4-yl]-2,2,2-trifluoroethanone

InChI:

InChI=1S/C11H7BrF3N3O/c1-6-4-7(12)2-3-9(6)18-5-8(16-17-18)10(19)11(13,14)15/h2-5H,1H3

InChI Key:

OAYDAEJOXYCYCJ-UHFFFAOYSA-N

SMILES:

Brc1ccc(c(c1)C)n1nnc(c1)C(=O)C(F)(F)F

Complexity:

353

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

332.972g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

334.096g/mol

Monoisotopic Mass:

332.972g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5