5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione

5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione

Formula: C17H19BrO6

SMILES: CCCCC1(C)OC(=O)C(=CC2=CC(Br)=C(O)C(OC)=C2)C(=O)O1

IUPAC: 5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione

InChI: InChI=1S/C17H19BrO6/c1-4-5-6-17(2)23-15(20)11(16(21)24-17)7-10-8-12(18)14(19)13(9-10)22-3/h7-9,19H,4-6H2,1-3H3/b11-7-

Composition: C (51.14%), H (4.80%), Br (20.01%), O (24.04%)

Molar Mass: 399.237

Atom Count: 43

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	398.036501
Formal Charge	0
FSP3	0.41
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OASSSMLGHOKMPX-XFFZJAGNSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.11
Topological Polar Surface Area	82.06
Polarizability	35.37
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H19BrO6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00