ethyl 7-nitro-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxylate

ethyl 7-nitro-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxylate

CAS: 40160-42-7

Formula: C11H7F3N2O4S

SMILES: CCOC(=O)C1=NC2=CC(=CC(=C2S1)[N+]([O-])=O)C(F)(F)F

IUPAC: ethyl 7-nitro-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxylate

InChI: InChI=1S/C11H7F3N2O4S/c1-2-20-10(17)9-15-6-3-5(11(12,13)14)4-7(16(18)19)8(6)21-9/h3-4H,2H2,1H3

Composition: C (41.26%), H (2.20%), F (17.80%), N (8.75%), O (19.98%), S (10.01%)

Molar Mass: 320.24

Atom Count: 28

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	320.007862376
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ZTGLWVNCHUYUSI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.67
Topological Polar Surface Area	82.33
Polarizability	25.25
Ring Count	2
Rotatable Bond Count	5

Suppliers

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	40160-42-7		$1,713.50-$3,312.00$1,713.50$3,312.00$10,338.50