Benzo[a]pyrene, 6-nitro-


Chemical Name: Benzo[a]pyrene, 6-nitro-
CAS Number: 63041-90-7
Product Number: AG00E9L3(AGN-PC-0JKTW9)
Synonyms:
MDL No:
Molecular Formula: C20H11NO2
Molecular Weight: 297.30684

Identification/Properties


Computed Properties
Molecular Weight:
297.313g/mol
XLogP3:
6.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
297.079g/mol
Monoisotopic Mass:
297.079g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
487
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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