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244268-34-6

244268-34-6 | 5-(Trifluoromethyl)pyridazin-3(2H)-one

CAS No: 244268-34-6 Catalog No: AG003854 MDL No:MFCD09841380

Product Description

Catalog Number:
AG003854
Chemical Name:
5-(Trifluoromethyl)pyridazin-3(2H)-one
CAS Number:
244268-34-6
Molecular Formula:
C5H3F3N2O
Molecular Weight:
164.0853
MDL Number:
MFCD09841380
IUPAC Name:
4-(trifluoromethyl)-1H-pyridazin-6-one
InChI:
InChI=1S/C5H3F3N2O/c6-5(7,8)3-1-4(11)10-9-2-3/h1-2H,(H,10,11)
InChI Key:
QWZSPFRUVNDATO-UHFFFAOYSA-N
SMILES:
FC(c1cn[nH]c(=O)c1)(F)F

Properties

Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.087g/mol
Monoisotopic Mass:
164.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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