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89593-80-6 | Benzoyl chloride, 4-(5-chloro-4-fluoro-6-oxo-1(6H)-pyridazinyl)-
CAS No: 89593-80-6 Catalog No: AG003XDU MDL No:
Product Description
Catalog Number:
AG003XDU
Chemical Name:
Benzoyl chloride, 4-(5-chloro-4-fluoro-6-oxo-1(6H)-pyridazinyl)-
CAS Number:
89593-80-6
Molecular Formula:
C11H5Cl2FN2O2
Molecular Weight:
287.0740
IUPAC Name:
4-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)benzoyl chloride
InChI:
InChI=1S/C11H5Cl2FN2O2/c12-9-8(14)5-15-16(11(9)18)7-3-1-6(2-4-7)10(13)17/h1-5H
InChI Key:
HXIDZZUJCKYAMT-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(cc1)n1ncc(c(c1=O)Cl)F
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.971g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.071g/mol
Monoisotopic Mass:
285.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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