3-bromo-4-chloro-5-methoxybenzoic acid

3-bromo-4-chloro-5-methoxybenzoic acid

CAS: 2089300-59-2

Formula: C8H6BrClO3

SMILES: COC1=CC(=CC(Br)=C1Cl)C(O)=O

IUPAC: 3-bromo-4-chloro-5-methoxybenzoic acid

InChI: InChI=1S/C8H6BrClO3/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3H,1H3,(H,11,12)

Composition: C (36.19%), H (2.28%), Br (30.10%), Cl (13.35%), O (18.08%)

Molar Mass: 265.49

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	263.918885
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YFFRDMLPBOPNGJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.2
Topological Polar Surface Area	46.53
Polarizability	20.19
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	2089300-59-2		$114.75$114.75