4-bromo-5-iodo-2-methoxybenzoic acid

4-bromo-5-iodo-2-methoxybenzoic acid

Formula: C8H6BrIO3

SMILES: COC1=CC(Br)=C(I)C=C1C(O)=O

IUPAC: 4-bromo-5-iodo-2-methoxybenzoic acid

InChI: InChI=1S/C8H6BrIO3/c1-13-7-3-5(9)6(10)2-4(7)8(11)12/h2-3H,1H3,(H,11,12)

Composition: C (26.92%), H (1.69%), Br (22.39%), I (35.55%), O (13.45%)

Molar Mass: 356.941

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	355.8545
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DDRPSGIPUPDDDK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.76
Topological Polar Surface Area	46.53
Polarizability	23.69
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C8H6BrIO3		Quote Only