(2S)-2-amino-3-(2-fluorophenyl)propanoic acid

(2S)-2-amino-3-(2-fluorophenyl)propanoic acid

CAS: 19883-78-4

Formula: C9H10FNO2

SMILES: N[C@@H](CC1=CC=CC=C1F)C(O)=O

IUPAC: (2S)-2-amino-3-(2-fluorophenyl)propanoic acid

InChI: InChI=1S/C9H10FNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1

Composition: C (59.01%), H (5.50%), F (10.37%), N (7.65%), O (17.47%)

Molar Mass: 183.182

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	183.069556729
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NYCRCTMDYITATC-QMMMGPOBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.33
Topological Polar Surface Area	63.32
Polarizability	17.6
Ring Count	1
Rotatable Bond Count	3

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97%	<7 Days	19883-78-4		$257.13-$704.06$257.13$383.35$704.06

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97%	<7 Days	19883-78-4		$15.53-$545.45$15.53$33.12$148.01$269.10$545.45

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98%	<6 Days	19883-78-4		$13.80-$363.40$13.80$24.15$173.65$363.40

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98%	<5 Days	19883-78-4		$31.53-$471.61$31.53$134.93$225.72$471.61