1-chloro-2-nitro-4-trifluoromethanesulfonylbenzene

1-chloro-2-nitro-4-trifluoromethanesulfonylbenzene

Formula: C7H3ClF3NO4S

SMILES: [O-][N+](=O)C1=CC(=CC=C1Cl)S(=O)(=O)C(F)(F)F

IUPAC: 1-chloro-2-nitro-4-trifluoromethanesulfonylbenzene

InChI: InChI=1S/C7H3ClF3NO4S/c8-5-2-1-4(3-6(5)12(13)14)17(15,16)7(9,10)11/h1-3H

Composition: C (29.03%), H (1.04%), Cl (12.24%), F (19.68%), N (4.84%), O (22.10%), S (11.07%)

Molar Mass: 289.61

Atom Count: 20

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	288.9423409
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	BDIMBZRJVHLTPD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.02
Topological Polar Surface Area	77.28
Polarizability	20.07
Ring Count	1
Rotatable Bond Count	3

Suppliers

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<6 Days	C7H3ClF3NO4S		$491.05-$1,903.25$491.05$1,305.25$1,903.25

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C7H3ClF3NO4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00