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(2S)-2-amino-3-(3-fluoro-5-methoxyphenyl)propanoic acid

(2S)-2-amino-3-(3-fluoro-5-methoxyphenyl)propanoic acid

CAS: 1269987-09-8

Formula: C10H12FNO3

SMILES: COC1=CC(F)=CC(C[C@H](N)C(O)=O)=C1

IUPAC: (2S)-2-amino-3-(3-fluoro-5-methoxyphenyl)propanoic acid

InChI: InChI=1S/C10H12FNO3/c1-15-8-3-6(2-7(11)5-8)4-9(12)10(13)14/h2-3,5,9H,4,12H2,1H3,(H,13,14)/t9-/m0/s1

Composition: C (56.33%), H (5.67%), F (8.91%), N (6.57%), O (22.51%)

Molar Mass: 213.208

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 213.080121413
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey LZXNSZJBHKMIQD-VIFPVBQESA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.8
Topological Polar Surface Area 72.55
Polarizability 20.16
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1269987-09-8 $138.24-$311.04$138.24$207.36$311.04
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