CAS 789-07-1 | Pyrene, 2-nitro- | CAS Number 789-07-1

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789-07-1 | Pyrene, 2-nitro-

CAS No: 789-07-1 Catalog No: AG0054ZP MDL No:

Product Description

Catalog Number:

AG0054ZP

Chemical Name:

Pyrene, 2-nitro-

CAS Number:

789-07-1

Molecular Formula:

C16H9NO2

Molecular Weight:

247.2482

IUPAC Name:

2-nitropyrene

InChI:

InChI=1S/C16H9NO2/c18-17(19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11/h1-9H

InChI Key:

MAZCGYFIOOIVHE-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3

UNII:

GI0F8R15CU

Properties

Complexity:

351

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.253g/mol

Monoisotopic Mass:

247.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.9

Literature

Title	Journal
Role of upper triplet states on the photophysics of nitrated polyaromatic compounds: S(1) lifetimes of singly nitrated pyrenes.	The journal of physical chemistry. A 20110908
Exposures to particulate air pollution and nitro-polycyclic aromatic hydrocarbons among taxi drivers in Shenyang, China.	Environmental science & technology 20100101
In vitro activity of thienyl-2-nitropropene compounds against Trypanosoma cruzi.	Memorias do Instituto Oswaldo Cruz 20091101
Diurnal cycle of PAHs, nitro-PAHs, and oxy-PAHs in a high oxidation capacity marine background atmosphere.	Environmental science & technology 20071201
Organic content of particulate matter in the atmosphere of Ouargla City, Algeria.	Annali di chimica 20010101