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(2S)-2-amino-3-(2,6-difluorophenyl)propanoic acid

(2S)-2-amino-3-(2,6-difluorophenyl)propanoic acid

CAS: 33787-05-2

Formula: C9H9F2NO2

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

IUPAC: (2S)-2-amino-3-(2,6-difluorophenyl)propanoic acid

InChI: InChI=1S/C9H9F2NO2/c10-6-2-1-3-7(11)5(6)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/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 RFOVYDPRGDZBLJ-QMMMGPOBSA-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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97% <7 Days 33787-05-2 $187.00-$1,316.48$187.00$436.65$693.77$1,316.48
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97% <7 Days 33787-05-2 $71.04-$751.68$71.04$220.80$375.36$751.68
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98% <5 Days 33787-05-2 $924.00-$9,450.00$924.00$6,510.00$9,450.00
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