6-(trifluoromethyl)pyridazine-3-carboxylic acid

6-(trifluoromethyl)pyridazine-3-carboxylic acid

CAS: 1192155-05-7

Formula: C6H3F3N2O2

SMILES: OC(=O)C1=CC=C(N=N1)C(F)(F)F

IUPAC: 6-(trifluoromethyl)pyridazine-3-carboxylic acid

InChI: InChI=1S/C6H3F3N2O2/c7-6(8,9)4-2-1-3(5(12)13)10-11-4/h1-2H,(H,12,13)

Composition: C (37.52%), H (1.57%), F (29.67%), N (14.58%), O (16.66%)

Molar Mass: 192.097

Atom Count: 16

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	192.014661834
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NJVZTXHNKXUAMB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.25
Topological Polar Surface Area	63.08
Polarizability	12.58
Ring Count	1
Rotatable Bond Count	2

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