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Home > Nitro Compounds > 81316-78-1
81316-78-1 | Triphenylene, 1-nitro-
CAS No: 81316-78-1 Catalog No: AG005LE2 MDL No:
Product Description
Catalog Number:
AG005LE2
Chemical Name:
Triphenylene, 1-nitro-
CAS Number:
81316-78-1
Molecular Formula:
C18H11NO2
Molecular Weight:
273.2854
IUPAC Name:
1-nitrotriphenylene
InChI:
InChI=1S/C18H11NO2/c20-19(21)17-11-5-10-16-14-7-2-1-6-12(14)13-8-3-4-9-15(13)18(16)17/h1-11H
InChI Key:
HCZVRRQDPKTLAK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1c1ccccc1c1c2cccc1
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:
4.7
Literature
| Title | Journal |
|---|---|
| Environmental occurrence of nitrotriphenylene observed in airborne particulate matter. | Chemosphere 20010801 |
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