1-nitro-3-[(trifluoromethyl)sulfanyl]benzene

1-nitro-3-[(trifluoromethyl)sulfanyl]benzene

Formula: C7H4F3NO2S

SMILES: [O-][N+](=O)C1=CC(SC(F)(F)F)=CC=C1

IUPAC: 1-nitro-3-[(trifluoromethyl)sulfanyl]benzene

InChI: InChI=1S/C7H4F3NO2S/c8-7(9,10)14-6-3-1-2-5(4-6)11(12)13/h1-4H

Composition: C (37.67%), H (1.81%), F (25.54%), N (6.28%), O (14.34%), S (14.37%)

Molar Mass: 223.17

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	222.991484036
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LCYLLPJRCOQTHG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.36
Topological Polar Surface Area	43.14
Polarizability	16.67
Ring Count	1
Rotatable Bond Count	3

Suppliers

LabNetwork INC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	1 Day	C7H4F3NO2S		$540.00$540.00