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130216-52-3 | Tetrazolo[1,5-b]pyridazine, 6-(4-chlorophenyl)-8-phenyl-
CAS No: 130216-52-3 Catalog No: AG000U52 MDL No:
Product Description
Catalog Number:
AG000U52
Chemical Name:
Tetrazolo[1,5-b]pyridazine, 6-(4-chlorophenyl)-8-phenyl-
CAS Number:
130216-52-3
Molecular Formula:
C16H10ClN5
Molecular Weight:
307.7371
IUPAC Name:
6-(4-chlorophenyl)-8-phenyltetrazolo[1,5-b]pyridazine
InChI:
InChI=1S/C16H10ClN5/c17-13-8-6-12(7-9-13)15-10-14(11-4-2-1-3-5-11)16-18-20-21-22(16)19-15/h1-10H
InChI Key:
CHULVOHQSHYFBJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nn2nnnc2c(c1)c1ccccc1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.741g/mol
Monoisotopic Mass:
307.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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