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88094-27-3 | 3(2H)-Pyridazinone, 5-[(4-bromophenyl)methoxy]-2-butyl-4-chloro-
CAS No: 88094-27-3 Catalog No: AG004J5B MDL No:
Product Description
Catalog Number:
AG004J5B
Chemical Name:
3(2H)-Pyridazinone, 5-[(4-bromophenyl)methoxy]-2-butyl-4-chloro-
CAS Number:
88094-27-3
Molecular Formula:
C15H16BrClN2O2
Molecular Weight:
371.6567
IUPAC Name:
5-[(4-bromophenyl)methoxy]-2-butyl-4-chloropyridazin-3-one
InChI:
InChI=1S/C15H16BrClN2O2/c1-2-3-8-19-15(20)14(17)13(9-18-19)21-10-11-4-6-12(16)7-5-11/h4-7,9H,2-3,8,10H2,1H3
InChI Key:
WSYLZANRZPSZFU-UHFFFAOYSA-N
SMILES:
CCCCn1ncc(c(c1=O)Cl)OCc1ccc(cc1)Br
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.008g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.659g/mol
Monoisotopic Mass:
370.008g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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