CAS 13047-06-8 | Methanone, (2-bromophenyl)phenyl- | CAS Number 13047-06-8

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13047-06-8 | Methanone, (2-bromophenyl)phenyl-

CAS No: 13047-06-8 Catalog No: AG000UHE MDL No:MFCD00032462

Product Description

Catalog Number:

AG000UHE

Chemical Name:

Methanone, (2-bromophenyl)phenyl-

CAS Number:

13047-06-8

Molecular Formula:

C13H9BrO

Molecular Weight:

261.1140

MDL Number:

MFCD00032462

IUPAC Name:

(2-bromophenyl)-phenylmethanone

InChI:

InChI=1S/C13H9BrO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H

InChI Key:

ABEVIHIQUUXDMS-UHFFFAOYSA-N

SMILES:

Brc1ccccc1C(=O)c1ccccc1

Properties

Complexity:

221

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.984g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.118g/mol

Monoisotopic Mass:

259.984g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Triarylmethanes, a new class of cx50 inhibitors.	Frontiers in pharmacology 20120101
Photoinduced C-Br homolysis of 2-bromobenzophenones and Pschorr ring closure of 2-aroylaryl radicals to fluorenones.	The Journal of organic chemistry 20071207