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Home > Indoles and Oxindole > 90181-62-7
90181-62-7 | 2H-Indol-2-one, 1,3-dihydro-3-[(3-methoxyphenyl)imino]-5-nitro-
CAS No: 90181-62-7 Catalog No: AG00H5UW MDL No:
Product Description
Catalog Number:
AG00H5UW
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-3-[(3-methoxyphenyl)imino]-5-nitro-
CAS Number:
90181-62-7
Molecular Formula:
C15H11N3O4
Molecular Weight:
297.2655
IUPAC Name:
3-(3-methoxyphenyl)imino-5-nitro-1H-indol-2-one
InChI:
InChI=1S/C15H11N3O4/c1-22-11-4-2-3-9(7-11)16-14-12-8-10(18(20)21)5-6-13(12)17-15(14)19/h2-8H,1H3,(H,16,17,19)
InChI Key:
PEQNCXBYMDAAPF-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)N=C1C(=O)Nc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.27g/mol
Monoisotopic Mass:
297.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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