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Home > Indoles and Oxindole > 21081-63-0
21081-63-0 | 1H-Isoindole-1,3(2H)-dione, 2-[(3-nitrophenyl)methyl]-
CAS No: 21081-63-0 Catalog No: AG002KZJ MDL No:MFCD05669729
Product Description
Catalog Number:
AG002KZJ
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(3-nitrophenyl)methyl]-
CAS Number:
21081-63-0
Molecular Formula:
C15H10N2O4
Molecular Weight:
282.2509
MDL Number:
MFCD05669729
IUPAC Name:
2-[(3-nitrophenyl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C15H10N2O4/c18-14-12-6-1-2-7-13(12)15(19)16(14)9-10-4-3-5-11(8-10)17(20)21/h1-8H,9H2
InChI Key:
SIMHDCASOMEHDY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)CN1C(=O)c2c(C1=O)cccc2
NSC Number:
212262
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.255g/mol
Monoisotopic Mass:
282.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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