2-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}propane-1,3-diol

2-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}propane-1,3-diol

Formula: C11H13F3N2O4

SMILES: CC(CO)(CO)NC1=CC=C(C=C1[N+]([O-])=O)C(F)(F)F

IUPAC: 2-methyl-2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}propane-1,3-diol

InChI: InChI=1S/C11H13F3N2O4/c1-10(5-17,6-18)15-8-3-2-7(11(12,13)14)4-9(8)16(19)20/h2-4,15,17-18H,5-6H2,1H3

Composition: C (44.90%), H (4.45%), F (19.37%), N (9.52%), O (21.75%)

Molar Mass: 294.23

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	294.082741396
Formal Charge	0
FSP3	0.45
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	RACUXTNSZMBMPM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.44
Topological Polar Surface Area	95.63
Polarizability	23.4
Ring Count	1
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H13F3N2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00