(2S)-2-amino-4-[2-(trifluoromethyl)phenyl]butanoic acid

(2S)-2-amino-4-[2-(trifluoromethyl)phenyl]butanoic acid

CAS: 1260614-65-0

Formula: C11H12F3NO2

SMILES: N[C@@H](CCC1=CC=CC=C1C(F)(F)F)C(O)=O

IUPAC: (2S)-2-amino-4-[2-(trifluoromethyl)phenyl]butanoic acid

InChI: InChI=1S/C11H12F3NO2/c12-11(13,14)8-4-2-1-3-7(8)5-6-9(15)10(16)17/h1-4,9H,5-6,15H2,(H,16,17)/t9-/m0/s1

Composition: C (53.44%), H (4.89%), F (23.05%), N (5.67%), O (12.94%)

Molar Mass: 247.217

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	247.082013119
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BCXGVVUDFMBXEM-VIFPVBQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.69
Topological Polar Surface Area	63.32
Polarizability	20.93
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1260614-65-0		$275.52-$620.16$275.52$413.76$620.16

Acrotein ChemBio Inc.,

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1260614-65-0		$275.52-$620.16$275.52$413.76$620.16