CAS 93249-62-8 | 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde | CAS Number 93249-62-8

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93249-62-8 | 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde

CAS No: 93249-62-8 Catalog No: AG003HEO MDL No:MFCD00075249

Product Description

Catalog Number:

AG003HEO

Chemical Name:

2-Hydroxy-5-(trifluoromethoxy)benzaldehyde

CAS Number:

93249-62-8

Molecular Formula:

C8H5F3O3

Molecular Weight:

206.1187

MDL Number:

MFCD00075249

IUPAC Name:

2-hydroxy-5-(trifluoromethoxy)benzaldehyde

InChI:

InChI=1S/C8H5F3O3/c9-8(10,11)14-6-1-2-7(13)5(3-6)4-12/h1-4,13H

InChI Key:

WQUZBERVMUEJTD-UHFFFAOYSA-N

SMILES:

O=Cc1cc(ccc1O)OC(F)(F)F

Properties

Complexity:

205

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

206.019g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

206.12g/mol

Monoisotopic Mass:

206.019g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
2-[(E)-(Naphthalen-2-yl-imino)-meth-yl]-4-(trifluoro-meth-oxy)phenol.	Acta crystallographica. Section E, Structure reports online 20120401
2-[(E)-2-Hy-droxy-5-(trifluoro-meth-oxy)benzyl-idene-amino]-4-methyl-phenol.	Acta crystallographica. Section E, Structure reports online 20110101
(E)-2-[(3-Fluoro-phen-yl)imino-meth-yl]-4-(trifluoro-meth-oxy)phenol.	Acta crystallographica. Section E, Structure reports online 20100301
(E)-2-[(4-Chloro-phen-yl)imino-meth-yl]-4-(trifluoro-meth-oxy)phenol.	Acta crystallographica. Section E, Structure reports online 20091101