(2S)-2-amino-3-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]propanoic acid

(2S)-2-amino-3-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]propanoic acid

CAS: 1435806-24-8

Formula: C11H11F4NO2

SMILES: CC1=CC(C[C@H](N)C(O)=O)=C(F)C=C1C(F)(F)F

IUPAC: (2S)-2-amino-3-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]propanoic acid

InChI: InChI=1S/C11H11F4NO2/c1-5-2-6(3-9(16)10(17)18)8(12)4-7(5)11(13,14)15/h2,4,9H,3,16H2,1H3,(H,17,18)/t9-/m0/s1

Composition: C (49.82%), H (4.18%), F (28.65%), N (5.28%), O (12.07%)

Molar Mass: 265.208

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	265.07259125
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ZAEBGVLZTPXBJV-VIFPVBQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.35
Topological Polar Surface Area	63.32
Polarizability	20.74
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	1435806-24-8		$51.35-$359.43$51.35$63.37$86.31$359.43