6-bromo-3-methoxy-2-methylbenzoic acid

6-bromo-3-methoxy-2-methylbenzoic acid

CAS: 55289-17-3

Formula: C9H9BrO3

SMILES: COC1=C(C)C(C(O)=O)=C(Br)C=C1

IUPAC: 6-bromo-3-methoxy-2-methylbenzoic acid

InChI: InChI=1S/C9H9BrO3/c1-5-7(13-2)4-3-6(10)8(5)9(11)12/h3-4H,1-2H3,(H,11,12)

Composition: C (44.11%), H (3.70%), Br (32.60%), O (19.58%)

Molar Mass: 245.072

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.973507
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YCCRLMJCFUNZNA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.44
Topological Polar Surface Area	46.53
Polarizability	19.9
Ring Count	1
Rotatable Bond Count	2

Suppliers

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	55289-17-3		$51.35-$359.43$51.35$63.37$75.38$86.31$120.18$359.43