CAS 14618-45-2 | Ethanone, 2,2,2-trifluoro-1-(1H-indol-3-yl)- | CAS Number 14618-45-2

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14618-45-2 | Ethanone, 2,2,2-trifluoro-1-(1H-indol-3-yl)-

CAS No: 14618-45-2 Catalog No: AG001DSB MDL No:MFCD00182114

Product Description

Catalog Number:

AG001DSB

Chemical Name:

Ethanone, 2,2,2-trifluoro-1-(1H-indol-3-yl)-

CAS Number:

14618-45-2

Molecular Formula:

C10H6F3NO

Molecular Weight:

213.1559

MDL Number:

MFCD00182114

IUPAC Name:

2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone

InChI:

InChI=1S/C10H6F3NO/c11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8/h1-5,14H

InChI Key:

LCMDCXWSHDFQKP-UHFFFAOYSA-N

SMILES:

O=C(C(F)(F)F)c1c[nH]c2c1cccc2

Properties

Complexity:

264

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

213.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

213.159g/mol

Monoisotopic Mass:

213.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

32.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Prediction of genotoxicity of chemical compounds by statistical learning methods.	Chemical research in toxicology 20050601