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1260758-47-1 | 3-Pyridazinecarboxylic acid, 6-chloro-4-(trifluoromethyl)-
CAS No: 1260758-47-1 Catalog No: AG000R4U MDL No:MFCD11847958
Product Description
Catalog Number:
AG000R4U
Chemical Name:
3-Pyridazinecarboxylic acid, 6-chloro-4-(trifluoromethyl)-
CAS Number:
1260758-47-1
Molecular Formula:
C6H2ClF3N2O2
Molecular Weight:
226.5405
MDL Number:
MFCD11847958
IUPAC Name:
6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylic acid
InChI:
InChI=1S/C6H2ClF3N2O2/c7-3-1-2(6(8,9)10)4(5(13)14)12-11-3/h1H,(H,13,14)
InChI Key:
WCCPLLFNAXNRKI-UHFFFAOYSA-N
SMILES:
OC(=O)c1nnc(cc1C(F)(F)F)Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.976g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.539g/mol
Monoisotopic Mass:
225.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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