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(2S)-2-amino-3-(2-iodophenyl)propanoic acid

(2S)-2-amino-3-(2-iodophenyl)propanoic acid

CAS: 167817-55-2

Formula: C9H10INO2

SMILES: N[C@@H](CC1=CC=CC=C1I)C(O)=O

IUPAC: (2S)-2-amino-3-(2-iodophenyl)propanoic acid

InChI: InChI=1S/C9H10INO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1

Composition: C (37.14%), H (3.46%), I (43.60%), N (4.81%), O (10.99%)

Molar Mass: 291.088

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 290.97562
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey BKXVGLPBXYBDDM-QMMMGPOBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.48
Topological Polar Surface Area 63.32
Polarizability 23.11
Ring Count 1
Rotatable Bond Count 3

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