4-bromo-2,5-dimethoxyphenylboronic acid

4-bromo-2,5-dimethoxyphenylboronic acid

CAS: 950846-26-1

Formula: C8H10BBrO4

SMILES: COC1=CC(B(O)O)=C(OC)C=C1Br

IUPAC: (4-bromo-2,5-dimethoxyphenyl)boronic acid

InChI: InChI=1S/C8H10BBrO4/c1-13-7-4-6(10)8(14-2)3-5(7)9(11)12/h3-4,11-12H,1-2H3

Composition: C (36.83%), H (3.86%), B (4.14%), Br (30.63%), O (24.53%)

Molar Mass: 260.88

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	259.985552
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	VFSKPPVNGHKIFE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.15
Topological Polar Surface Area	58.92
Polarizability	21.52
Ring Count	1
Rotatable Bond Count	3

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