Home Halogens lithium(1+) ion 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate

lithium(1+) ion 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate

CAS No.:
2044713-80-4
Catalog Number:
AG01BVTU
Molecular Formula:
C6HClF3LiN2O2
Molecular Weight:
232.4735
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Product Description
Catalog Number:
AG01BVTU
Chemical Name:
lithium(1+) ion 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate
CAS Number:
2044713-80-4
Molecular Formula:
C6HClF3LiN2O2
Molecular Weight:
232.4735
MDL Number:
MFCD30486610
IUPAC Name:
lithium;6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate
InChI:
InChI=1S/C6H2ClF3N2O2.Li/c7-3-1-2(6(8,9)10)4(5(13)14)12-11-3;/h1H,(H,13,14);/q;+1/p-1
InChI Key:
VQJQPCSMGOBDPB-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1nnc(cc1C(F)(F)F)Cl.[Li+]
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.984g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.471g/mol
Monoisotopic Mass:
231.984g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties