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81819-88-7 | Pyridazine, 3-butoxy-6-phenyl-
CAS No: 81819-88-7 Catalog No: AG0050CI MDL No:
Product Description
Catalog Number:
AG0050CI
Chemical Name:
Pyridazine, 3-butoxy-6-phenyl-
CAS Number:
81819-88-7
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
IUPAC Name:
3-butoxy-6-phenylpyridazine
InChI:
InChI=1S/C14H16N2O/c1-2-3-11-17-14-10-9-13(15-16-14)12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3
InChI Key:
JIBRRFMAUOZRSO-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(nn1)c1ccccc1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.295g/mol
Monoisotopic Mass:
228.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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