3-amino-3-{3-[3-(trifluoromethyl)phenoxy]phenyl}propanoic acid

3-amino-3-{3-[3-(trifluoromethyl)phenoxy]phenyl}propanoic acid

CAS: 213192-61-1

Formula: C16H14F3NO3

SMILES: NC(CC(O)=O)C1=CC(OC2=CC(=CC=C2)C(F)(F)F)=CC=C1

IUPAC: 3-amino-3-{3-[3-(trifluoromethyl)phenoxy]phenyl}propanoic acid

InChI: InChI=1/C16H14F3NO3/c17-16(18,19)11-4-2-6-13(8-11)23-12-5-1-3-10(7-12)14(20)9-15(21)22/h1-8,14H,9,20H2,(H,21,22)

Composition: C (59.08%), H (4.34%), F (17.52%), N (4.31%), O (14.76%)

Molar Mass: 325.287

Atom Count: 37

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	325.092577804
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NVKJHUJOTYZSCP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.2
Topological Polar Surface Area	72.55
Polarizability	29.32
Ring Count	2
Rotatable Bond Count	6

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	213192-61-1		$51.35-$524.40$51.35$63.37$86.31$524.40

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	213192-61-1		$2,640.00-$4,306.00$2,640.00$3,520.00$4,306.00