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Home > Indoles and Oxindole > 2593-84-2
2593-84-2 | 1H-Isoindole-1,3(2H)-dione, 2-hexyl-4-nitro-
CAS No: 2593-84-2 Catalog No: AG002R40 MDL No:
Product Description
Catalog Number:
AG002R40
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-hexyl-4-nitro-
CAS Number:
2593-84-2
Molecular Formula:
C14H16N2O4
Molecular Weight:
276.2878
IUPAC Name:
2-hexyl-4-nitroisoindole-1,3-dione
InChI:
InChI=1S/C14H16N2O4/c1-2-3-4-5-9-15-13(17)10-7-6-8-11(16(19)20)12(10)14(15)18/h6-8H,2-5,9H2,1H3
InChI Key:
MRTIQAFDNIOQJF-UHFFFAOYSA-N
SMILES:
CCCCCCN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.292g/mol
Monoisotopic Mass:
276.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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