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88469-74-3 | Thiazolo[4,5-d]pyridazin-7(6H)-one, 2-phenyl-
CAS No: 88469-74-3 Catalog No: AG004ADE MDL No:
Product Description
Catalog Number:
AG004ADE
Chemical Name:
Thiazolo[4,5-d]pyridazin-7(6H)-one, 2-phenyl-
CAS Number:
88469-74-3
Molecular Formula:
C11H7N3OS
Molecular Weight:
229.2578
IUPAC Name:
2-phenyl-6H-[1,3]thiazolo[4,5-d]pyridazin-7-one
InChI:
InChI=1S/C11H7N3OS/c15-10-9-8(6-12-14-10)13-11(16-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChI Key:
FTRIBSRUFJIHSK-UHFFFAOYSA-N
SMILES:
O=c1[nH]ncc2c1sc(n2)c1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.257g/mol
Monoisotopic Mass:
229.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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