methyl 5-(trifluoromethoxy)-1-benzothiophene-2-carboxylate

methyl 5-(trifluoromethoxy)-1-benzothiophene-2-carboxylate

CAS: 885279-16-3

Formula: C11H7F3O3S

SMILES: COC(=O)C1=CC2=CC(OC(F)(F)F)=CC=C2S1

IUPAC: methyl 5-(trifluoromethoxy)-1-benzothiophene-2-carboxylate

InChI: InChI=1S/C11H7F3O3S/c1-16-10(15)9-5-6-4-7(17-11(12,13)14)2-3-8(6)18-9/h2-5H,1H3

Composition: C (47.83%), H (2.55%), F (20.63%), O (17.38%), S (11.61%)

Molar Mass: 276.23

Atom Count: 25

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	276.006799748
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SBWDLPVAPIPKRG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.28
Topological Polar Surface Area	35.53
Polarizability	22.87
Ring Count	2
Rotatable Bond Count	4

Suppliers

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	885279-16-3		$1,147.70-$4,597.70$1,147.70$4,597.70