3-bromo-4-(carboxymethoxy)-5-methoxybenzoic acid

3-bromo-4-(carboxymethoxy)-5-methoxybenzoic acid

CAS: 833430-97-0

Formula: C10H9BrO6

SMILES: COC1=CC(=CC(Br)=C1OCC(O)=O)C(O)=O

IUPAC: 3-bromo-4-(carboxymethoxy)-5-methoxybenzoic acid

InChI: InChI=1S/C10H9BrO6/c1-16-7-3-5(10(14)15)2-6(11)9(7)17-4-8(12)13/h2-3H,4H2,1H3,(H,12,13)(H,14,15)

Composition: C (39.37%), H (2.97%), Br (26.19%), O (31.47%)

Molar Mass: 305.08

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	303.958251
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	CUNDKYVLNWUQCX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.95
Topological Polar Surface Area	93.06
Polarizability	23.3
Ring Count	1
Rotatable Bond Count	5

Suppliers

Crea-Chim UAB

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	833430-97-0		$39.00$39.00