ethyl 2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylate

ethyl 2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylate

CAS: 89457-09-0

Formula: C11H9F3N2O2

SMILES: CCOC(=O)C1=CC=C2NC(=NC2=C1)C(F)(F)F

IUPAC: ethyl 2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylate

InChI: InChI=1S/C11H9F3N2O2/c1-2-18-9(17)6-3-4-7-8(5-6)16-10(15-7)11(12,13)14/h3-5H,2H2,1H3,(H,15,16)

Composition: C (51.17%), H (3.51%), F (22.07%), N (10.85%), O (12.39%)

Molar Mass: 258.2

Atom Count: 27

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	258.061612027
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WOQXCSGTWFKUSU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.19
Topological Polar Surface Area	54.98
Polarizability	22.07
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	89457-09-0		$51.35-$225.06$51.35$63.37$86.31$143.12$225.06