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methyl 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

methyl 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

CAS: 1025718-78-8

Formula: C14H18BBrO4

SMILES: COC(=O)C1=CC(=CC(Br)=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: methyl 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

InChI: InChI=1S/C14H18BBrO4/c1-13(2)14(3,4)20-15(19-13)10-6-9(12(17)18-5)7-11(16)8-10/h6-8H,1-5H3

Composition: C (49.31%), H (5.32%), B (3.17%), Br (23.43%), O (18.77%)

Molar Mass: 341.01

Atom Count: 38

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 340.048152
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YTLNMWYKZKGCOV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.36
Topological Polar Surface Area 44.76
Polarizability 31.23
Ring Count 2
Rotatable Bond Count 3

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