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Home > Nitro Compounds > 81316-88-3
81316-88-3 | Benzo(ghi)perylene, 7-nitro-
CAS No: 81316-88-3 Catalog No: AG005346 MDL No:
Product Description
Catalog Number:
AG005346
Chemical Name:
Benzo(ghi)perylene, 7-nitro-
CAS Number:
81316-88-3
Molecular Formula:
C22H11NO2
Molecular Weight:
321.3282
IUPAC Name:
15-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)17-11-10-15-9-8-14-7-6-13-5-4-12-2-1-3-16-18(12)19(13)20(14)21(15)22(16)17/h1-11H
InChI Key:
QCFGYKUPIIYMMJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c3c1c1cccc4c1c1c3c(cc2)ccc1cc4
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:
6.5
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