4-({6-[(3-chloropropanoyl)oxy]hexyl}oxy)benzoic acid

4-({6-[(3-chloropropanoyl)oxy]hexyl}oxy)benzoic acid

CAS: 182922-18-5

Formula: C16H21ClO5

SMILES: OC(=O)C1=CC=C(OCCCCCCOC(=O)CCCl)C=C1

IUPAC: 4-({6-[(3-chloropropanoyl)oxy]hexyl}oxy)benzoic acid

InChI: InChI=1S/C16H21ClO5/c17-10-9-15(18)22-12-4-2-1-3-11-21-14-7-5-13(6-8-14)16(19)20/h5-8H,1-4,9-12H2,(H,19,20)

Composition: C (58.45%), H (6.44%), Cl (10.78%), O (24.33%)

Molar Mass: 328.79

Atom Count: 43

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	328.1077515
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YZNWEIUTUQFLLH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.39
Topological Polar Surface Area	72.83
Polarizability	32.56
Ring Count	1
Rotatable Bond Count	12

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	182922-18-5		$115.92-$200.79$115.92$200.79

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<6 Days	182922-18-5		$23.00-$105.80$23.00$40.25$105.80