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

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

CAS: 219943-61-0

Formula: C11H11BrN2O2

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

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

InChI: InChI=1S/C11H11BrN2O2/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 (46.67%), H (3.92%), Br (28.22%), N (9.89%), O (11.30%)

Molar Mass: 283.125

Atom Count: 27

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 282.000391
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey OFKIVYVSESEHFZ-MRVPVSSYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.83
Topological Polar Surface Area 79.11
Polarizability 25.85
Ring Count 2
Rotatable Bond Count 3

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97% <7 Days 219943-61-0 $172.80-$258.24$172.80$258.24
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