CAS 1218-82-2 | 4H-1-Benzopyran-4-one, 6-fluoro-2-phenyl- | CAS Number 1218-82-2

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1218-82-2 | 4H-1-Benzopyran-4-one, 6-fluoro-2-phenyl-

CAS No: 1218-82-2 Catalog No: AG00162Y MDL No:MFCD00693281

Product Description

Catalog Number:

AG00162Y

Chemical Name:

4H-1-Benzopyran-4-one, 6-fluoro-2-phenyl-

CAS Number:

1218-82-2

Molecular Formula:

C15H9FO2

Molecular Weight:

240.2292

MDL Number:

MFCD00693281

IUPAC Name:

6-fluoro-2-phenylchromen-4-one

InChI:

InChI=1S/C15H9FO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H

InChI Key:

OUYOSBQKQPUNJK-UHFFFAOYSA-N

SMILES:

Fc1ccc2c(c1)c(=O)cc(o2)c1ccccc1

NSC Number:

93394

Properties

Complexity:

358

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.233g/mol

Monoisotopic Mass:

240.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1

Literature

Title	Journal
Effects of flavone 6-substitutions on GABAA receptors efficacy.	European journal of pharmacology 20111116
QSAR modeling of the interaction of flavonoids with GABA(A) receptor.	European journal of medicinal chemistry 20080801
Chalcones and flavonoids as anti-tuberculosis agents.	Bioorganic & medicinal chemistry 20020801