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(2R)-2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid

(2R)-2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid

CAS: 110221-04-0

Formula: C11H11FN2O2

SMILES: N[C@H](CC1=CNC2=CC=CC(F)=C12)C(O)=O

IUPAC: (2R)-2-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid

InChI: InChI=1S/C11H11FN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)/t8-/m1/s1

Composition: C (59.46%), H (4.99%), F (8.55%), N (12.61%), O (14.40%)

Molar Mass: 222.219

Atom Count: 27

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 222.080455765
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey DEBQMEYEKKWIKC-MRVPVSSYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.42
Topological Polar Surface Area 79.11
Polarizability 22.76
Ring Count 2
Rotatable Bond Count 3

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 110221-04-0 $172.80-$387.84$172.80$258.24$387.84
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