2-butoxy-5-chlorobenzoic acid

2-butoxy-5-chlorobenzoic acid

CAS: 27830-13-3

Formula: C11H13ClO3

SMILES: CCCCOC1=C(C=C(Cl)C=C1)C(O)=O

IUPAC: 2-butoxy-5-chlorobenzoic acid

InChI: InChI=1S/C11H13ClO3/c1-2-3-6-15-10-5-4-8(12)7-9(10)11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)

Composition: C (57.78%), H (5.73%), Cl (15.50%), O (20.99%)

Molar Mass: 228.67

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.055322
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MEECPFMWMVEMIX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.46
Topological Polar Surface Area	46.53
Polarizability	22.6
Ring Count	1
Rotatable Bond Count	5

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	27830-13-3		$134.76$134.76