2-bromo-3,5-dimethoxybenzoic acid

2-bromo-3,5-dimethoxybenzoic acid

CAS: 17275-86-4

Formula: C9H9BrO4

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

IUPAC: 2-bromo-3,5-dimethoxybenzoic acid

InChI: InChI=1S/C9H9BrO4/c1-13-5-3-6(9(11)12)8(10)7(4-5)14-2/h3-4H,1-2H3,(H,11,12)

Composition: C (41.41%), H (3.47%), Br (30.61%), O (24.51%)

Molar Mass: 261.071

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	259.968422
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WZYHIVYNECVLKT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.86
Topological Polar Surface Area	55.76
Polarizability	20.74
Ring Count	1
Rotatable Bond Count	3

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