CAS 1737-06-0 | Acetamide, N-[4-(trifluoromethoxy)phenyl]- | CAS Number 1737-06-0

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1737-06-0 | Acetamide, N-[4-(trifluoromethoxy)phenyl]-

CAS No: 1737-06-0 Catalog No: AG001Z4M MDL No:MFCD00075293

Product Description

Catalog Number:

AG001Z4M

Chemical Name:

Acetamide, N-[4-(trifluoromethoxy)phenyl]-

CAS Number:

1737-06-0

Molecular Formula:

C9H8F3NO2

Molecular Weight:

219.1605

MDL Number:

MFCD00075293

IUPAC Name:

N-[4-(trifluoromethoxy)phenyl]acetamide

InChI:

InChI=1S/C9H8F3NO2/c1-6(14)13-7-2-4-8(5-3-7)15-9(10,11)12/h2-5H,1H3,(H,13,14)

InChI Key:

QQRLAETWHFRNQH-UHFFFAOYSA-N

SMILES:

CC(=O)Nc1ccc(cc1)OC(F)(F)F

Properties

Complexity:

222

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

219.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

219.163g/mol

Monoisotopic Mass:

219.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
The metabolism of 4-trifluoromethoxyaniline and [13C]-4-trifluoromethoxyacetanilide in the rat: detection and identification of metabolites excreted in the urine by NMR and HPLC-NMR.	Journal of pharmaceutical and biomedical analysis 20020601