CAS 15115-60-3 | 1H-Inden-1-one, 4-bromo-2,3-dihydro- | CAS Number 15115-60-3

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15115-60-3 | 1H-Inden-1-one, 4-bromo-2,3-dihydro-

CAS No: 15115-60-3 Catalog No: AG001N4Q MDL No:MFCD01719772

Product Description

Catalog Number:

AG001N4Q

Chemical Name:

1H-Inden-1-one, 4-bromo-2,3-dihydro-

CAS Number:

15115-60-3

Molecular Formula:

C9H7BrO

Molecular Weight:

211.0553

MDL Number:

MFCD01719772

IUPAC Name:

4-bromo-2,3-dihydroinden-1-one

InChI:

InChI=1S/C9H7BrO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2

InChI Key:

UVVYFYLSZIMKMC-UHFFFAOYSA-N

SMILES:

O=C1CCc2c1cccc2Br

NSC Number:

162080

Properties

Complexity:

178

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

209.968g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.058g/mol

Monoisotopic Mass:

209.968g/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
Identification of a novel scaffold for allosteric inhibition of wild type and drug resistant HIV-1 reverse transcriptase by fragment library screening.	Journal of medicinal chemistry 20110210
Synthesis of a basket-shaped C56H38 hydrocarbon as a precursor toward an end-cap template for carbon [6,6]nanotubes.	The Journal of organic chemistry 20100319