6-amino-4-(2-chloro-6-fluorophenyl)-3-ethyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(2-chloro-6-fluorophenyl)-3-ethyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Formula: C15H12ClFN4O

SMILES: CCC1=C2C(C(C#N)=C(N)OC2=NN1)C1=C(F)C=CC=C1Cl

IUPAC: 6-amino-4-(2-chloro-6-fluorophenyl)-3-ethyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

InChI: InChI=1/C15H12ClFN4O/c1-2-10-13-11(12-8(16)4-3-5-9(12)17)7(6-18)14(19)22-15(13)21-20-10/h3-5,11H,2,19H2,1H3,(H,20,21)

Composition: C (56.52%), H (3.79%), Cl (11.12%), F (5.96%), N (17.58%), O (5.02%)

Molar Mass: 318.74

Atom Count: 34

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	318.0683669
Formal Charge	0
FSP3	0.2
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	BEKLSNJNLLWANK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.78
Topological Polar Surface Area	87.72
Polarizability	30.01
Ring Count	3
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H12ClFN4O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00