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Home > Indoles and Oxindole > 820234-19-3
820234-19-3 | 1H-Indole, 1-(4-methoxybenzoyl)-5-nitro-
CAS No: 820234-19-3 Catalog No: AG0053E7 MDL No:
Product Description
Catalog Number:
AG0053E7
Chemical Name:
1H-Indole, 1-(4-methoxybenzoyl)-5-nitro-
CAS Number:
820234-19-3
Molecular Formula:
C16H12N2O4
Molecular Weight:
296.2775
IUPAC Name:
(4-methoxyphenyl)-(5-nitroindol-1-yl)methanone
InChI:
InChI=1S/C16H12N2O4/c1-22-14-5-2-11(3-6-14)16(19)17-9-8-12-10-13(18(20)21)4-7-15(12)17/h2-10H,1H3
InChI Key:
PUSKESRFGYNGBX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)n1ccc2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.282g/mol
Monoisotopic Mass:
296.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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