1-methanesulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

1-methanesulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

Formula: C12H14F3N3O4S

SMILES: CS(=O)(=O)N1CCN(CC1)C1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F

IUPAC: 1-methanesulfonyl-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

InChI: InChI=1S/C12H14F3N3O4S/c1-23(21,22)17-6-4-16(5-7-17)10-3-2-9(12(13,14)15)8-11(10)18(19)20/h2-3,8H,4-7H2,1H3

Composition: C (40.79%), H (3.99%), F (16.13%), N (11.89%), O (18.11%), S (9.07%)

Molar Mass: 353.32

Atom Count: 37

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	353.065711606
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	QZWXARSDGRDMTQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.7
Topological Polar Surface Area	83.76
Polarizability	28.61
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H14F3N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00