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Home > Nitro Compounds > 663206-22-2
663206-22-2 | 2-methyl-7-nitro-9H-benzo[e][1,2,4]triazolo[5,1-b][1,3]thiazin-9-ol
CAS No: 663206-22-2 Catalog No: AG018Y3K MDL No:
Product Description
Catalog Number:
AG018Y3K
Chemical Name:
2-methyl-7-nitro-9H-benzo[e][1,2,4]triazolo[5,1-b][1,3]thiazin-9-ol
CAS Number:
663206-22-2
Molecular Formula:
C10H8N4O3S
Molecular Weight:
264.2605
IUPAC Name:
2-methyl-7-nitro-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-ol
InChI:
InChI=1S/C10H8N4O3S/c1-5-11-10-13(12-5)9(15)7-4-6(14(16)17)2-3-8(7)18-10/h2-4,9,15H,1H3
InChI Key:
PFLLBKLYBNWSSC-UHFFFAOYSA-N
SMILES:
Cc1nn2c(n1)Sc1c(C2O)cc(cc1)[N+](=O)[O-]
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.032g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.259g/mol
Monoisotopic Mass:
264.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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