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

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

CAS: 1986-86-3

Formula: C9H10INO2

SMILES: NC(CC1=CC=CC=C1I)C(O)=O

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

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

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-UHFFFAOYNA-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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