CAS 70354-15-3 | 4H-1-Benzopyran-4-one, 2-(4-chlorophenyl)-7-methoxy- | CAS Number 70354-15-3

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70354-15-3 | 4H-1-Benzopyran-4-one, 2-(4-chlorophenyl)-7-methoxy-

CAS No: 70354-15-3 Catalog No: AG005JV9 MDL No:

Product Description

Catalog Number:

AG005JV9

Chemical Name:

4H-1-Benzopyran-4-one, 2-(4-chlorophenyl)-7-methoxy-

CAS Number:

70354-15-3

Molecular Formula:

C16H11ClO3

Molecular Weight:

286.7097

IUPAC Name:

2-(4-chlorophenyl)-7-methoxychromen-4-one

InChI:

InChI=1S/C16H11ClO3/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-9H,1H3

InChI Key:

SQLUWUXBLLPJIY-UHFFFAOYSA-N

SMILES:

COc1ccc2c(c1)oc(cc2=O)c1ccc(cc1)Cl

Properties

Complexity:

399

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

286.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

286.711g/mol

Monoisotopic Mass:

286.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6

Literature

Title	Journal
Synthesis and inhibitory activity against COX-2 catalyzed prostaglandin production of chrysin derivatives.	Bioorganic & medicinal chemistry letters 20040308
Chalcones and flavonoids as anti-tuberculosis agents.	Bioorganic & medicinal chemistry 20020801