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Home > Nitro Compounds > 663206-23-3
663206-23-3 | 2-ethyl-7-nitro-9H-benzo[e][1,2,4]triazolo[5,1-b][1,3]thiazin-9-ol
CAS No: 663206-23-3 Catalog No: AG018Y3I MDL No:
Product Description
Catalog Number:
AG018Y3I
Chemical Name:
2-ethyl-7-nitro-9H-benzo[e][1,2,4]triazolo[5,1-b][1,3]thiazin-9-ol
CAS Number:
663206-23-3
Molecular Formula:
C11H10N4O3S
Molecular Weight:
278.2871
IUPAC Name:
2-ethyl-7-nitro-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-ol
InChI:
InChI=1S/C11H10N4O3S/c1-2-9-12-11-14(13-9)10(16)7-5-6(15(17)18)3-4-8(7)19-11/h3-5,10,16H,2H2,1H3
InChI Key:
RJKILNTWEYTIDN-UHFFFAOYSA-N
SMILES:
CCc1nn2c(n1)Sc1c(C2O)cc(cc1)[N+](=O)[O-]
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.047g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.286g/mol
Monoisotopic Mass:
278.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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