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Home > Nitro Compounds > 147235-64-1
147235-64-1 | 7H-Thiazolo[4,5-d][1,3]oxazin-7-one, 2-(methylthio)-5-(4-nitrophenyl)-
CAS No: 147235-64-1 Catalog No: AG001EQ0 MDL No:
Product Description
Catalog Number:
AG001EQ0
Chemical Name:
7H-Thiazolo[4,5-d][1,3]oxazin-7-one, 2-(methylthio)-5-(4-nitrophenyl)-
CAS Number:
147235-64-1
Molecular Formula:
C12H7N3O4S2
Molecular Weight:
321.3317
IUPAC Name:
2-methylsulfanyl-5-(4-nitrophenyl)-[1,3]thiazolo[4,5-d][1,3]oxazin-7-one
InChI:
InChI=1S/C12H7N3O4S2/c1-20-12-14-9-8(21-12)11(16)19-10(13-9)6-2-4-7(5-3-6)15(17)18/h2-5H,1H3
InChI Key:
KOWHUAVNCUARDM-UHFFFAOYSA-N
SMILES:
CSc1sc2c(n1)nc(oc2=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.988g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.325g/mol
Monoisotopic Mass:
320.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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