CAS 80480-15-5 | 2-Bromo-1-(pyren-1-yl)ethanone | CAS Number 80480-15-5

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80480-15-5 | 2-Bromo-1-(pyren-1-yl)ethanone

CAS No: 80480-15-5 Catalog No: AG003D2I MDL No:MFCD00191839

Product Description

Catalog Number:

AG003D2I

Chemical Name:

2-Bromo-1-(pyren-1-yl)ethanone

CAS Number:

80480-15-5

Molecular Formula:

C18H11BrO

Molecular Weight:

323.1833

MDL Number:

MFCD00191839

IUPAC Name:

2-bromo-1-pyren-1-ylethanone

InChI:

InChI=1S/C18H11BrO/c19-10-16(20)14-8-6-13-5-4-11-2-1-3-12-7-9-15(14)18(13)17(11)12/h1-9H,10H2

InChI Key:

KAEDEGFCOPIKKM-UHFFFAOYSA-N

SMILES:

BrCC(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1

Properties

Complexity:

393

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

321.999g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

323.189g/mol

Monoisotopic Mass:

321.999g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.5

Literature

Title	Journal
Detection of okadaic acid and related esters in mussels during diarrhetic shellfish poisoning (DSP) episodes in Greece using the mouse bioassay, the PP2A inhibition assay and HPLC with fluorimetric detection.	Toxicon : official journal of the International Society on Toxinology 20090201
Determination of dialkyl phosphates as breakdown products of organophosphorus insecticides in fruit juices by HPTLC with fluorescence detection.	Journal of AOAC International 20090101