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

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

Formula: C12H14F3N3O2

SMILES: CC1CN(CCN1)C1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F

IUPAC: 3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

InChI: InChI=1/C12H14F3N3O2/c1-8-7-17(5-4-16-8)10-3-2-9(12(13,14)15)6-11(10)18(19)20/h2-3,6,8,16H,4-5,7H2,1H3

Composition: C (49.83%), H (4.88%), F (19.70%), N (14.53%), O (11.06%)

Molar Mass: 289.258

Atom Count: 34

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	289.103811192
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XPYGLMJMRRVFAU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.96
Topological Polar Surface Area	58.41
Polarizability	24.58
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H14F3N3O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00