3-iodo-4-propylbenzoic acid

3-iodo-4-propylbenzoic acid

CAS: 1131588-03-8

Formula: C10H11IO2

SMILES: CCCC1=C(I)C=C(C=C1)C(O)=O

IUPAC: 3-iodo-4-propylbenzoic acid

InChI: InChI=1S/C10H11IO2/c1-2-3-7-4-5-8(10(12)13)6-9(7)11/h4-6H,2-3H2,1H3,(H,12,13)

Composition: C (41.40%), H (3.82%), I (43.75%), O (11.03%)

Molar Mass: 290.1

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	289.98037
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WFRTYBSOECZTOG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.92
Topological Polar Surface Area	37.3
Polarizability	23.29
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1131588-03-8		$2,640.00-$6,451.00$2,640.00$4,224.00$6,451.00