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(2R)-2-acetamido-3-(4-iodophenyl)propanoic acid

(2R)-2-acetamido-3-(4-iodophenyl)propanoic acid

CAS: 201351-59-9

Formula: C11H12INO3

SMILES: CC(=O)N[C@H](CC1=CC=C(I)C=C1)C(O)=O

IUPAC: (2R)-2-acetamido-3-(4-iodophenyl)propanoic acid

InChI: InChI=1S/C11H12INO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m1/s1

Composition: C (39.66%), H (3.63%), I (38.10%), N (4.20%), O (14.41%)

Molar Mass: 333.125

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 332.98619
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RTVNNJWKXVLALU-SNVBAGLBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.92
Topological Polar Surface Area 66.4
Polarizability 26.54
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 201351-59-9 $197.69-$560.97$197.69$560.97
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 201351-59-9 $90.85-$354.20$90.85$354.20
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