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

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

CAS: 682804-04-2

Formula: C9H9F2NO2

SMILES: NC(CC(O)=O)C1=CC=CC(F)=C1F

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

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

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 PDSVPPFKLOHCFR-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.42
Topological Polar Surface Area 63.32
Polarizability 17.4
Ring Count 1
Rotatable Bond Count 3

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