methyl 2-(4-amino-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate

methyl 2-(4-amino-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate

Formula: C11H12F3NO4

SMILES: COC(=O)C(O)(C1=CC=C(N)C(OC)=C1)C(F)(F)F

IUPAC: methyl 2-(4-amino-3-methoxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoate

InChI: InChI=1/C11H12F3NO4/c1-18-8-5-6(3-4-7(8)15)10(17,9(16)19-2)11(12,13)14/h3-5,17H,15H2,1-2H3

Composition: C (47.32%), H (4.33%), F (20.41%), N (5.02%), O (22.92%)

Molar Mass: 279.215

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	279.071842359
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ALUXNDKOCCYMEV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.05
Topological Polar Surface Area	81.78
Polarizability	22.32
Ring Count	1
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H12F3NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00