CAS 27395-93-3 | 4-(Benzoxazol-2-yl)benzaldehyde | CAS Number 27395-93-3

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27395-93-3 | 4-(Benzoxazol-2-yl)benzaldehyde

CAS No: 27395-93-3 Catalog No: AG00BG66 MDL No:MFCD00440630

Product Description

Catalog Number:

AG00BG66

Chemical Name:

4-(Benzoxazol-2-yl)benzaldehyde

CAS Number:

27395-93-3

Molecular Formula:

C14H9NO2

Molecular Weight:

223.2268

MDL Number:

MFCD00440630

IUPAC Name:

4-(1,3-benzoxazol-2-yl)benzaldehyde

InChI:

InChI=1S/C14H9NO2/c16-9-10-5-7-11(8-6-10)14-15-12-3-1-2-4-13(12)17-14/h1-9H

InChI Key:

RJBHLGAIPOSNBE-UHFFFAOYSA-N

SMILES:

O=Cc1ccc(cc1)c1nc2c(o1)cccc2

Properties

Complexity:

273

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

223.231g/mol

Monoisotopic Mass:

223.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
2-(4-Carbonylphenyl)benzoxazole inhibitors of CETP: attenuation of hERG binding and improved HDLc-raising efficacy.	Bioorganic & medicinal chemistry letters 20110501
2-(4-carbonylphenyl)benzoxazole inhibitors of CETP: scaffold design and advancement in HDLc-raising efficacy.	Bioorganic & medicinal chemistry letters 20110315