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88094-25-1 | 3(2H)-Pyridazinone, 2-butyl-4-chloro-5-[(4-methylphenyl)methoxy]-
CAS No: 88094-25-1 Catalog No: AG004J5C MDL No:
Product Description
Catalog Number:
AG004J5C
Chemical Name:
3(2H)-Pyridazinone, 2-butyl-4-chloro-5-[(4-methylphenyl)methoxy]-
CAS Number:
88094-25-1
Molecular Formula:
C16H19ClN2O2
Molecular Weight:
306.7873
IUPAC Name:
2-butyl-4-chloro-5-[(4-methylphenyl)methoxy]pyridazin-3-one
InChI:
InChI=1S/C16H19ClN2O2/c1-3-4-9-19-16(20)15(17)14(10-18-19)21-11-13-7-5-12(2)6-8-13/h5-8,10H,3-4,9,11H2,1-2H3
InChI Key:
VPPSDQGLRIBYRX-UHFFFAOYSA-N
SMILES:
CCCCn1ncc(c(c1=O)Cl)OCc1ccc(cc1)C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.79g/mol
Monoisotopic Mass:
306.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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