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16060-67-6 | 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(5-nitro-2-thiazolyl)-
CAS No: 16060-67-6 Catalog No: AG001S2Z MDL No:
Product Description
Catalog Number:
AG001S2Z
Chemical Name:
4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(5-nitro-2-thiazolyl)-
CAS Number:
16060-67-6
Molecular Formula:
C12H9N3O4S
Molecular Weight:
291.2826
IUPAC Name:
4-(5-nitro-1,3-thiazol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
InChI:
InChI=1S/C12H9N3O4S/c16-10-8-5-1-2-6(3-5)9(8)11(17)14(10)12-13-4-7(20-12)15(18)19/h1-2,4-6,8-9H,3H2
InChI Key:
DYDUEZDUGQXVHR-UHFFFAOYSA-N
SMILES:
O=C1C2C3C=CC(C2C(=O)N1c1ncc(s1)[N+](=O)[O-])C3
NSC Number:
73225
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.031g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.281g/mol
Monoisotopic Mass:
291.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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