(2S)-2-amino-3-(4-fluoro-3-iodophenyl)propanoic acid

(2S)-2-amino-3-(4-fluoro-3-iodophenyl)propanoic acid

CAS: 1336179-65-7

Formula: C9H9FINO2

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

IUPAC: (2S)-2-amino-3-(4-fluoro-3-iodophenyl)propanoic acid

InChI: InChI=1S/C9H9FINO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1

Composition: C (34.97%), H (2.94%), F (6.15%), I (41.06%), N (4.53%), O (10.35%)

Molar Mass: 309.079

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	308.9662
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JYDIQSQVJMFROY-QMMMGPOBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.7
Topological Polar Surface Area	63.32
Polarizability	22.98
Ring Count	1
Rotatable Bond Count	3

Suppliers

Acrotein ChemBio Inc.,

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1336179-65-7		$290.88-$739.20$290.88$475.20$739.20