4-(acetyloxy)-3,5-diiodobenzoic acid

4-(acetyloxy)-3,5-diiodobenzoic acid

CAS: 41072-98-4

Formula: C9H6I2O4

SMILES: CC(=O)OC1=C(I)C=C(C=C1I)C(O)=O

IUPAC: 4-(acetyloxy)-3,5-diiodobenzoic acid

InChI: InChI=1S/C9H6I2O4/c1-4(12)15-8-6(10)2-5(9(13)14)3-7(8)11/h2-3H,1H3,(H,13,14)

Composition: C (25.03%), H (1.40%), I (58.76%), O (14.82%)

Molar Mass: 431.952

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	431.83555
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JVPBGCMTWXCGAZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.17
Topological Polar Surface Area	63.6
Polarizability	28.08
Ring Count	1
Rotatable Bond Count	3

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90%	<2 Days	41072-98-4		$51.35-$86.31$51.35$63.37$86.31