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Home > Nitro Compounds > 57835-92-4
57835-92-4 | 4-Nitropyrene
CAS No: 57835-92-4 Catalog No: AG003LWM MDL No:MFCD00215955
Product Description
Catalog Number:
AG003LWM
Chemical Name:
4-Nitropyrene
CAS Number:
57835-92-4
Molecular Formula:
C16H9NO2
Molecular Weight:
247.2482
MDL Number:
MFCD00215955
IUPAC Name:
4-nitropyrene
InChI:
InChI=1S/C16H9NO2/c18-17(19)14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H
InChI Key:
UISKIUIWPSPSAV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3
UNII:
XOT1408EDI
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.253g/mol
Monoisotopic Mass:
247.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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 |
| Nitroarenes (selected): 4-Nitropyrene. | Report on carcinogens : carcinogen profiles 20110101 |
| Secondary effects of catalytic diesel particulate filters: conversion of PAHs versus formation of nitro-PAHs. | Environmental science & technology 20080515 |
| Nitroarenes (selected) 4-nitropyrene. | Report on carcinogens : carcinogen profiles 20040101 |
| Nitroarenes (selected). 4-Nitropyrene. | Report on carcinogens : carcinogen profiles 20020101 |
| Carcinogenicity of nitropyrenes in the newborn female rat. | Carcinogenesis 19951201 |
| Tumorigenicity of nitrated derivatives of pyrene, benz[a]anthracene, chrysene and benzo[a]pyrene in the newborn mouse assay. | Carcinogenesis 19860801 |
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