3-iodo-4-pentylbenzoic acid

3-iodo-4-pentylbenzoic acid

CAS: 1131588-17-4

Formula: C12H15IO2

SMILES: CCCCCC1=C(I)C=C(C=C1)C(O)=O

IUPAC: 3-iodo-4-pentylbenzoic acid

InChI: InChI=1S/C12H15IO2/c1-2-3-4-5-9-6-7-10(12(14)15)8-11(9)13/h6-8H,2-5H2,1H3,(H,14,15)

Composition: C (45.30%), H (4.75%), I (39.89%), O (10.06%)

Molar Mass: 318.154

Atom Count: 30

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	318.01167
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LKOWJBSYZWMNAZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.12
Topological Polar Surface Area	37.3
Polarizability	26.91
Ring Count	1
Rotatable Bond Count	5

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1131588-17-4		$2,200.00-$5,376.00$2,200.00$3,520.00$5,376.00