4-acetyl-2-iodobenzoic acid

4-acetyl-2-iodobenzoic acid

CAS: 1612219-57-4

Formula: C9H7IO3

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

IUPAC: 4-acetyl-2-iodobenzoic acid

InChI: InChI=1S/C9H7IO3/c1-5(11)6-2-3-7(9(12)13)8(10)4-6/h2-4H,1H3,(H,12,13)

Composition: C (37.27%), H (2.43%), I (43.75%), O (16.55%)

Molar Mass: 290.056

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	289.94399
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AXHJEOGNSSBUAX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.08
Topological Polar Surface Area	54.37
Polarizability	21.74
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1612219-57-4		$89.53-$200.50$89.53$112.23$200.50