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140181-57-3 | 2,1-Benzisoxazole, 3-(4-pyridazinyl)-
CAS No: 140181-57-3 Catalog No: AG007M0D MDL No:
Product Description
Catalog Number:
AG007M0D
Chemical Name:
2,1-Benzisoxazole, 3-(4-pyridazinyl)-
CAS Number:
140181-57-3
Molecular Formula:
C11H7N3O
Molecular Weight:
197.1928
IUPAC Name:
3-pyridazin-4-yl-2,1-benzoxazole
InChI:
InChI=1S/C11H7N3O/c1-2-4-10-9(3-1)11(15-14-10)8-5-6-12-13-7-8/h1-7H
InChI Key:
YKYSHDIBIAWSPK-UHFFFAOYSA-N
SMILES:
n1ccc(cn1)c1onc2c1cccc2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.197g/mol
Monoisotopic Mass:
197.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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