5-iodobenzene-1,3-dicarboxylic acid

5-iodobenzene-1,3-dicarboxylic acid

CAS: 51839-16-8

Formula: C8H5IO4

SMILES: OC(=O)C1=CC(=CC(I)=C1)C(O)=O

IUPAC: 5-iodobenzene-1,3-dicarboxylic acid

InChI: InChI=1S/C8H5IO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3H,(H,10,11)(H,12,13)

Composition: C (32.90%), H (1.73%), I (43.46%), O (21.91%)

Molar Mass: 292.028

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	291.92325
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	QMDFYAWUWIIQFM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.93
Topological Polar Surface Area	74.6
Polarizability	20.52
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	51839-16-8		$40.35-$1,179.04$40.35$50.44$100.88$252.20$1,179.04