3-bromo-2,5,6-trimethoxybenzoic acid

3-bromo-2,5,6-trimethoxybenzoic acid

CAS: 101460-22-4

Formula: C10H11BrO5

SMILES: COC1=CC(Br)=C(OC)C(C(O)=O)=C1OC

IUPAC: 3-bromo-2,5,6-trimethoxybenzoic acid

InChI: InChI=1S/C10H11BrO5/c1-14-6-4-5(11)8(15-2)7(10(12)13)9(6)16-3/h4H,1-3H3,(H,12,13)

Composition: C (41.26%), H (3.81%), Br (27.45%), O (27.48%)

Molar Mass: 291.097

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	289.978986
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	YHDRAWVCUZZYCU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.33
Topological Polar Surface Area	64.99
Polarizability	23.3
Ring Count	1
Rotatable Bond Count	4

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