CAS 34328-46-6 | 4-Chloro-3-(trifluoromethyl)benzaldehyde | CAS Number 34328-46-6

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34328-46-6 | 4-Chloro-3-(trifluoromethyl)benzaldehyde

CAS No: 34328-46-6 Catalog No: AG003L4E MDL No:MFCD00040722

Product Description

Catalog Number:

AG003L4E

Chemical Name:

4-Chloro-3-(trifluoromethyl)benzaldehyde

CAS Number:

34328-46-6

Molecular Formula:

C8H4ClF3O

Molecular Weight:

208.5650

MDL Number:

MFCD00040722

IUPAC Name:

4-chloro-3-(trifluoromethyl)benzaldehyde

InChI:

InChI=1S/C8H4ClF3O/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-4H

InChI Key:

NIHMMULLFBKTOK-UHFFFAOYSA-N

SMILES:

O=Cc1ccc(c(c1)C(F)(F)F)Cl

EC Number:

251-940-5

Properties

Complexity:

192

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

207.99g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.564g/mol

Monoisotopic Mass:

207.99g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Design, synthesis, and structure-activity relationship exploration of 1-substituted 4-aroyl-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one analogues as inhibitors of the annexin A2-S100A10 protein interaction.	Journal of medicinal chemistry 20110414