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23406-39-5 | 1,2,4-Triazolo[4,3-b]pyridazine, 6-azido-3-phenyl-
CAS No: 23406-39-5 Catalog No: AG002N4Q MDL No:
Product Description
Catalog Number:
AG002N4Q
Chemical Name:
1,2,4-Triazolo[4,3-b]pyridazine, 6-azido-3-phenyl-
CAS Number:
23406-39-5
Molecular Formula:
C11H7N7
Molecular Weight:
237.2202
IUPAC Name:
6-azido-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
InChI:
InChI=1S/C11H7N7/c12-17-13-9-6-7-10-14-15-11(18(10)16-9)8-4-2-1-3-5-8/h1-7H
InChI Key:
HZRJPBYLAYLFAF-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc2n(n1)c(nn2)c1ccccc1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.076g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.226g/mol
Monoisotopic Mass:
237.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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