6-(trifluoromethyl)pyridazine-3-carbaldehyde

6-(trifluoromethyl)pyridazine-3-carbaldehyde

CAS: 1245643-49-5

Formula: C6H3F3N2O

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

IUPAC: 6-(trifluoromethyl)pyridazine-3-carbaldehyde

InChI: InChI=1S/C6H3F3N2O/c7-6(8,9)5-2-1-4(3-12)10-11-5/h1-3H

Composition: C (40.92%), H (1.72%), F (32.37%), N (15.91%), O (9.09%)

Molar Mass: 176.098

Atom Count: 15

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	176.019747214
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DJEWMKQZOIZESF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.56
Topological Polar Surface Area	42.85
Polarizability	11.98
Ring Count	1
Rotatable Bond Count	2

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