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1609494-01-0 | 2-(4-Nitrophenyl)-1H-anthra[1,2-d]imidazole-6,11-dione
CAS No: 1609494-01-0 Catalog No: AG01F82B MDL No:
Product Description
Catalog Number:
AG01F82B
Chemical Name:
2-(4-Nitrophenyl)-1H-anthra[1,2-d]imidazole-6,11-dione
CAS Number:
1609494-01-0
Molecular Formula:
C21H13N3O4
Molecular Weight:
371.3456
IUPAC Name:
2-(4-nitrophenyl)-6a,10a-dihydro-3H-naphtho[3,2-e]benzimidazole-6,11-dione
InChI:
InChI=1S/C21H13N3O4/c25-19-13-3-1-2-4-14(13)20(26)17-15(19)9-10-16-18(17)23-21(22-16)11-5-7-12(8-6-11)24(27)28/h1-10,13-14H,(H,22,23)
InChI Key:
FUWHSUBEUWFXTG-UHFFFAOYSA-N
SMILES:
O=C1C2C=CC=CC2C(=O)c2c1c1nc([nH]c1cc2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
749
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.091g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.352g/mol
Monoisotopic Mass:
371.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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