CAS 204339-72-0 | Benzaldehyde, 3-fluoro-4-(trifluoromethyl)- | CAS Number 204339-72-0

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204339-72-0 | Benzaldehyde, 3-fluoro-4-(trifluoromethyl)-

CAS No: 204339-72-0 Catalog No: AG0029FY MDL No:MFCD00236275

Product Description

Catalog Number:

AG0029FY

Chemical Name:

Benzaldehyde, 3-fluoro-4-(trifluoromethyl)-

CAS Number:

204339-72-0

Molecular Formula:

C8H4F4O

Molecular Weight:

192.1104

MDL Number:

MFCD00236275

IUPAC Name:

3-fluoro-4-(trifluoromethyl)benzaldehyde

InChI:

InChI=1S/C8H4F4O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-4H

InChI Key:

ZVIQXFUBNNGOJY-UHFFFAOYSA-N

SMILES:

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

Properties

Complexity:

189

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

192.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

192.113g/mol

Monoisotopic Mass:

192.02g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

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