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Home > Indoles and Oxindole > 16258-96-1
16258-96-1 | 4-nitro-2-thiazol-2-yl-isoindole-1,3-dione
CAS No: 16258-96-1 Catalog No: AG007WUM MDL No:
Product Description
Catalog Number:
AG007WUM
Chemical Name:
4-nitro-2-thiazol-2-yl-isoindole-1,3-dione
CAS Number:
16258-96-1
Molecular Formula:
C11H5N3O4S
Molecular Weight:
275.2401
IUPAC Name:
4-nitro-2-(1,3-thiazol-2-yl)isoindole-1,3-dione
InChI:
InChI=1S/C11H5N3O4S/c15-9-6-2-1-3-7(14(17)18)8(6)10(16)13(9)11-12-4-5-19-11/h1-5H
InChI Key:
QXESQTMPMWFROE-UHFFFAOYSA-N
SMILES:
O=C1N(c2nccs2)C(=O)c2c1c(ccc2)[N+](=O)[O-]
NSC Number:
80806
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.238g/mol
Monoisotopic Mass:
275g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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