(2S)-2-amino-3-(2,3-difluorophenyl)propanoic acid

(2S)-2-amino-3-(2,3-difluorophenyl)propanoic acid

CAS: 236754-62-4

Formula: C9H9F2NO2

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

IUPAC: (2S)-2-amino-3-(2,3-difluorophenyl)propanoic acid

InChI: InChI=1S/C9H9F2NO2/c10-6-3-1-2-5(8(6)11)4-7(12)9(13)14/h1-3,7H,4,12H2,(H,13,14)/t7-/m0/s1

Composition: C (53.73%), H (4.51%), F (18.89%), N (6.96%), O (15.91%)

Molar Mass: 201.173

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	201.06013486
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KSUXKFDPNKLPHX-ZETCQYMHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.55
Topological Polar Surface Area	63.32
Polarizability	17.4
Ring Count	1
Rotatable Bond Count	3

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