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100833-47-4 | Pyridazine, 3-chloro-6-[4-(octyloxy)phenyl]-
CAS No: 100833-47-4 Catalog No: AG0002Z3 MDL No:
Product Description
Catalog Number:
AG0002Z3
Chemical Name:
Pyridazine, 3-chloro-6-[4-(octyloxy)phenyl]-
CAS Number:
100833-47-4
Molecular Formula:
C18H23ClN2O
Molecular Weight:
318.8410
IUPAC Name:
3-chloro-6-(4-octoxyphenyl)pyridazine
InChI:
InChI=1S/C18H23ClN2O/c1-2-3-4-5-6-7-14-22-16-10-8-15(9-11-16)17-12-13-18(19)21-20-17/h8-13H,2-7,14H2,1H3
InChI Key:
FFAFZVUERJNZRC-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)c1ccc(nn1)Cl
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.15g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.845g/mol
Monoisotopic Mass:
318.15g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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