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Home > Indoles and Oxindole > 150812-24-1
150812-24-1 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-nitro-phenyl]-carbamic acid ethyl ester
CAS No: 150812-24-1 Catalog No: AG00JRS8 MDL No:
Product Description
Catalog Number:
AG00JRS8
Chemical Name:
[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-nitro-phenyl]-carbamic acid ethyl ester
CAS Number:
150812-24-1
Molecular Formula:
C17H13N3O6
Molecular Weight:
355.3016
IUPAC Name:
ethyl N-[4-(1,3-dioxoisoindol-2-yl)-2-nitrophenyl]carbamate
InChI:
InChI=1S/C17H13N3O6/c1-2-26-17(23)18-13-8-7-10(9-14(13)20(24)25)19-15(21)11-5-3-4-6-12(11)16(19)22/h3-9H,2H2,1H3,(H,18,23)
InChI Key:
ATFVSMWVPPTESZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1ccc(cc1[N+](=O)[O-])N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.08g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.306g/mol
Monoisotopic Mass:
355.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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