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23590-47-8 | Tetrazolo[1,5-b]pyridazine, 6-azido-8-methyl-
CAS No: 23590-47-8 Catalog No: AG002NT4 MDL No:
Product Description
Catalog Number:
AG002NT4
Chemical Name:
Tetrazolo[1,5-b]pyridazine, 6-azido-8-methyl-
CAS Number:
23590-47-8
Molecular Formula:
C5H4N8
Molecular Weight:
176.1389
IUPAC Name:
6-azido-8-methyltetrazolo[1,5-b]pyridazine
InChI:
InChI=1S/C5H4N8/c1-3-2-4(7-10-6)9-13-5(3)8-11-12-13/h2H,1H3
InChI Key:
LRMVZVUZHJPCAS-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1cc(C)c2n(n1)nnn2
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.143g/mol
Monoisotopic Mass:
176.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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