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Home > Nitro Compounds > 88038-32-8
88038-32-8 | 2H-1,3,4-Thiadiazin-2-one, 3,6-dihydro-5-(4-nitro-2-pyridinyl)-
CAS No: 88038-32-8 Catalog No: AG004GFO MDL No:
Product Description
Catalog Number:
AG004GFO
Chemical Name:
2H-1,3,4-Thiadiazin-2-one, 3,6-dihydro-5-(4-nitro-2-pyridinyl)-
CAS Number:
88038-32-8
Molecular Formula:
C8H6N4O3S
Molecular Weight:
238.2232
IUPAC Name:
5-(4-nitropyridin-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-one
InChI:
InChI=1S/C8H6N4O3S/c13-8-11-10-7(4-16-8)6-3-5(12(14)15)1-2-9-6/h1-3H,4H2,(H,11,13)
InChI Key:
BYHQZKXLYDYFRT-UHFFFAOYSA-N
SMILES:
O=C1NN=C(CS1)c1nccc(c1)[N+](=O)[O-]
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.016g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.221g/mol
Monoisotopic Mass:
238.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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