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Home Nitros Benz[a]anthracene, 7-nitro-

Benz[a]anthracene, 7-nitro-

CAS No.:
20268-51-3
Catalog Number:
AG0028CY
Molecular Formula:
C18H11NO2
Molecular Weight:
273.2854
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Product Description
Catalog Number:
AG0028CY
Chemical Name:
Benz[a]anthracene, 7-nitro-
CAS Number:
20268-51-3
Molecular Formula:
C18H11NO2
Molecular Weight:
273.2854
MDL Number:
MFCD00215950
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.079g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.291g/mol
Monoisotopic Mass:
273.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6  
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
Properties