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Home > Indoles and Oxindole > 19783-57-4
19783-57-4 | 1H-Isoindole-1,3(2H)-dione, 4-nitro-2-(5-nitro-2-thiazolyl)-
CAS No: 19783-57-4 Catalog No: AG002B3F MDL No:
Product Description
Catalog Number:
AG002B3F
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 4-nitro-2-(5-nitro-2-thiazolyl)-
CAS Number:
19783-57-4
Molecular Formula:
C11H4N4O6S
Molecular Weight:
320.2377
IUPAC Name:
4-nitro-2-(5-nitro-1,3-thiazol-2-yl)isoindole-1,3-dione
InChI:
InChI=1S/C11H4N4O6S/c16-9-5-2-1-3-6(14(18)19)8(5)10(17)13(9)11-12-4-7(22-11)15(20)21/h1-4H
InChI Key:
IBRHNSVYXAMUOS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(s1)N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]
NSC Number:
95663
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.985g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.235g/mol
Monoisotopic Mass:
319.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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