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132482-43-0 | Benzo[a]pyren-1-amine, 6-nitro-
CAS No: 132482-43-0 Catalog No: AG0010QP MDL No:
Product Description
Catalog Number:
AG0010QP
Chemical Name:
Benzo[a]pyren-1-amine, 6-nitro-
CAS Number:
132482-43-0
Molecular Formula:
C20H12N2O2
Molecular Weight:
312.3215
IUPAC Name:
6-nitrobenzo[a]pyren-1-amine
InChI:
InChI=1S/C20H12N2O2/c21-17-10-6-11-5-7-16-19-13(8-9-15(17)18(11)19)12-3-1-2-4-14(12)20(16)22(23)24/h1-10H,21H2
InChI Key:
RPGRSCMHUVPJSO-UHFFFAOYSA-N
SMILES:
Nc1ccc2c3c1ccc1c3c(cc2)c(c2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.09g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.328g/mol
Monoisotopic Mass:
312.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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