Home Carboxys 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid

6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid

CAS No.:
1178449-40-5
Catalog Number:
AG01A5OQ
Molecular Formula:
C7H5F3N2O3
Molecular Weight:
222.1214
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Product Description
Catalog Number:
AG01A5OQ
Chemical Name:
6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid
CAS Number:
1178449-40-5
Molecular Formula:
C7H5F3N2O3
Molecular Weight:
222.1214
MDL Number:
MFCD12152587
IUPAC Name:
6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylic acid
InChI:
InChI=1S/C7H5F3N2O3/c8-7(9,10)3-15-5-2-1-4(6(13)14)11-12-5/h1-2H,3H2,(H,13,14)
InChI Key:
KSZRBRNXHFNPAW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(nn1)OCC(F)(F)F
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.025g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.123g/mol
Monoisotopic Mass:
222.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties