3-chloro-5-methoxy-4-(3-methylbutoxy)benzoic acid

3-chloro-5-methoxy-4-(3-methylbutoxy)benzoic acid

Formula: C13H17ClO4

SMILES: COC1=C(OCCC(C)C)C(Cl)=CC(=C1)C(O)=O

IUPAC: 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoic acid

InChI: InChI=1S/C13H17ClO4/c1-8(2)4-5-18-12-10(14)6-9(13(15)16)7-11(12)17-3/h6-8H,4-5H2,1-3H3,(H,15,16)

Composition: C (57.25%), H (6.28%), Cl (13.00%), O (23.47%)

Molar Mass: 272.73

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	272.0815367
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ZCRSVQBSDNJUGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.47
Topological Polar Surface Area	55.76
Polarizability	27.01
Ring Count	1
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C13H17ClO4		Quote Only