CAS 383-53-9 | 2-Bromo-1-[4-(trifluoromethyl);phenyl]ethan-1-one | CAS Number 383-53-9

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383-53-9 | 2-Bromo-1-[4-(trifluoromethyl);phenyl]ethan-1-one

CAS No: 383-53-9 Catalog No: AG003GNU MDL No:MFCD00126489

Product Description

Catalog Number:

AG003GNU

Chemical Name:

2-Bromo-1-[4-(trifluoromethyl);phenyl]ethan-1-one

CAS Number:

383-53-9

Molecular Formula:

C9H6BrF3O

Molecular Weight:

267.0425

MDL Number:

MFCD00126489

IUPAC Name:

2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone

InChI:

InChI=1S/C9H6BrF3O/c10-5-8(14)6-1-3-7(4-2-6)9(11,12)13/h1-4H,5H2

InChI Key:

HEMROKPXTCOASZ-UHFFFAOYSA-N

SMILES:

BrCC(=O)c1ccc(cc1)C(F)(F)F

NSC Number:

277303

Properties

Complexity:

207

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.955g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

267.045g/mol

Monoisotopic Mass:

265.955g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Switching reversibility to irreversibility in glycogen synthase kinase 3 inhibitors: clues for specific design of new compounds.	Journal of medicinal chemistry 20110623
alpha-bromoacetophenone derivatives as neutral protein tyrosine phosphatase inhibitors: structure-Activity relationship.	Bioorganic & medicinal chemistry letters 20021104