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Home > Nitro Compounds > 663206-21-1
663206-21-1 | 7-nitro-9H-benzo[e][1,2,4]triazolo[5,1-b][1,3]thiazin-9-ol
CAS No: 663206-21-1 Catalog No: AG018Y3H MDL No:
Product Description
Catalog Number:
AG018Y3H
Chemical Name:
7-nitro-9H-benzo[e][1,2,4]triazolo[5,1-b][1,3]thiazin-9-ol
CAS Number:
663206-21-1
Molecular Formula:
C9H6N4O3S
Molecular Weight:
250.2339
IUPAC Name:
7-nitro-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-ol
InChI:
InChI=1S/C9H6N4O3S/c14-8-6-3-5(13(15)16)1-2-7(6)17-9-10-4-11-12(8)9/h1-4,8,14H
InChI Key:
YRPGNKJOKGQCKN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)C(O)n1c(S2)ncn1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.232g/mol
Monoisotopic Mass:
250.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
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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