CAS 20268-51-3 | Benz[a]anthracene, 7-nitro- | CAS Number 20268-51-3

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Nitro Compounds > 20268-51-3

20268-51-3 | Benz[a]anthracene, 7-nitro-

CAS No: 20268-51-3 Catalog No: AG0028CY MDL No:

Product Description

Catalog Number:

AG0028CY

Chemical Name:

Benz[a]anthracene, 7-nitro-

CAS Number:

20268-51-3

Molecular Formula:

C18H11NO2

Molecular Weight:

273.2854

IUPAC Name:

7-nitrobenzo[a]anthracene

InChI:

InChI=1S/C18H11NO2/c20-19(21)18-15-8-4-2-6-13(15)11-17-14-7-3-1-5-12(14)9-10-16(17)18/h1-11H

InChI Key:

KOPVBVBUIYTJBG-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3

UNII:

72LYC65SLS

Properties

Complexity:

405

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

273.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

273.291g/mol

Monoisotopic Mass:

273.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Mechanistic Investigations Into the Developmental Toxicity of Nitrated and Heterocyclic PAHs.	Toxicological sciences : an official journal of the Society of Toxicology 20170501
Purge-assisted headspace solid-phase microextraction combined with gas chromatography/mass spectrometry for the determination of trace nitrated polycyclic aromatic hydrocarbons in aqueous samples.	Journal of chromatography. A 20121123
Improvement of an automatic HPLC system for nitropolycyclic aromatic hydrocarbons: removal of an interfering peak and increase in the number of analytes.	Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20030201
Induction of CYP1A1, CYP1A2, and CYP1B1 mRNAs by nitropolycyclic aromatic hydrocarbons in various human tissue-derived cells: chemical-, cytochrome P450 isoform-, and cell-specific differences.	Archives of toxicology 20020601
Tumorigenicity of nitrated derivatives of pyrene, benz[a]anthracene, chrysene and benzo[a]pyrene in the newborn mouse assay.	Carcinogenesis 19860801