2-(2-bromo-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2-bromo-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 1256781-58-4

Formula: C13H18BBrO3

SMILES: COC1=CC=C(Br)C(=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 2-(2-bromo-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C13H18BBrO3/c1-12(2)13(3,4)18-14(17-12)10-8-9(16-5)6-7-11(10)15/h6-8H,1-5H3

Composition: C (49.89%), H (5.80%), B (3.45%), Br (25.53%), O (15.33%)

Molar Mass: 313

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	312.053237
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RHHZDWKRQWEDAL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.8
Topological Polar Surface Area	27.69
Polarizability	29.28
Ring Count	2
Rotatable Bond Count	2

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