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Home > Nitro Compounds > 81316-87-2
81316-87-2 | 5-Nitrobenzo(ghi)perylene
CAS No: 81316-87-2 Catalog No: AG005AXQ MDL No:
Product Description
Catalog Number:
AG005AXQ
Chemical Name:
5-Nitrobenzo(ghi)perylene
CAS Number:
81316-87-2
Molecular Formula:
C22H11NO2
Molecular Weight:
321.3282
IUPAC Name:
2-nitrohexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
InChI:
InChI=1S/C22H11NO2/c24-23(25)18-11-10-16-15-3-1-2-12-4-5-13-6-7-14-8-9-17(18)22(16)21(14)20(13)19(12)15/h1-11H
InChI Key:
PEVCOODQXOIYQH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c3c1ccc1c3c3c4c2cccc4ccc3cc1
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.079g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.335g/mol
Monoisotopic Mass:
321.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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