Name: Name:2-chloro-1-{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}ethan-1-one
Brand: Angene
SKU: AG019ZFY
Rating: 90 (10 reviews)

2-chloro-1-{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}ethan-1-one

CAS No.:

1384431-14-4

Catalog Number:

AG019ZFY

Molecular Formula:

C11H7ClF3N3O

Molecular Weight:

289.6410

Catalog Number:

AG019ZFY

Chemical Name:

2-chloro-1-{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}ethan-1-one

CAS Number:

1384431-14-4

Molecular Formula:

C11H7ClF3N3O

Molecular Weight:

289.6410

MDL Number:

MFCD22369938

IUPAC Name:

2-chloro-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanone

InChI:

InChI=1S/C11H7ClF3N3O/c12-5-10(19)9-6-18(17-16-9)8-3-1-2-7(4-8)11(13,14)15/h1-4,6H,5H2

InChI Key:

FAVVYLJBROZOSS-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1nnn(c1)c1cccc(c1)C(F)(F)F

Complexity:

340

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

289.023g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

289.642g/mol

Monoisotopic Mass:

289.023g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9