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126209-05-0 | Pyridine, 3,5-dinitro-2-(1H-1,2,4-triazol-5-ylthio)-
CAS No: 126209-05-0 Catalog No: AG000SD0 MDL No:
Product Description
Catalog Number:
AG000SD0
Chemical Name:
Pyridine, 3,5-dinitro-2-(1H-1,2,4-triazol-5-ylthio)-
CAS Number:
126209-05-0
Molecular Formula:
C7H4N6O4S
Molecular Weight:
268.2095
IUPAC Name:
3,5-dinitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine
InChI:
InChI=1S/C7H4N6O4S/c14-12(15)4-1-5(13(16)17)6(8-2-4)18-7-9-3-10-11-7/h1-3H,(H,9,10,11)
InChI Key:
ORVPVUJZDFUQFI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cnc1Sc1ncn[nH]1)[N+](=O)[O-]
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.001g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.207g/mol
Monoisotopic Mass:
268.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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