ethyl 3-(difluoromethyl)-1H-pyrazole-4-carboxylate

ethyl 3-(difluoromethyl)-1H-pyrazole-4-carboxylate

CAS: 151733-96-9

Formula: C7H8F2N2O2

SMILES: CCOC(=O)C1=CNN=C1C(F)F

IUPAC: ethyl 3-(difluoromethyl)-1H-pyrazole-4-carboxylate

InChI: InChI=1S/C7H8F2N2O2/c1-2-13-7(12)4-3-10-11-5(4)6(8)9/h3,6H,2H2,1H3,(H,10,11)

Composition: C (44.22%), H (4.24%), F (19.98%), N (14.73%), O (16.83%)

Molar Mass: 190.15

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	190.055383832
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XTHPZTBDQIWSFA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.25
Topological Polar Surface Area	54.98
Polarizability	15
Ring Count	1
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	CAS		UnitPrice
98%	<10 Days	151733-96-9		Quote Only

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	151733-96-9		$195.56-$821.56$195.56$195.56$329.94$329.94$821.56$821.56

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	151733-96-9		$126.10-$558.62$126.10$253.46$379.56$558.62