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Home > Pyridines > 1171776-18-3
1171776-18-3 | 3-(6-phenoxypyridazin-3-yl)benzoic acid
CAS No: 1171776-18-3 Catalog No: AG00J51A MDL No:MFCD14281594
Product Description
Catalog Number:
AG00J51A
Chemical Name:
3-(6-phenoxypyridazin-3-yl)benzoic acid
CAS Number:
1171776-18-3
Molecular Formula:
C17H12N2O3
Molecular Weight:
292.2888
MDL Number:
MFCD14281594
IUPAC Name:
3-(6-phenoxypyridazin-3-yl)benzoic acid
InChI:
InChI=1S/C17H12N2O3/c20-17(21)13-6-4-5-12(11-13)15-9-10-16(19-18-15)22-14-7-2-1-3-8-14/h1-11H,(H,20,21)
InChI Key:
WJIKCLDATQDJPJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1ccc(nn1)Oc1ccccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.294g/mol
Monoisotopic Mass:
292.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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