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

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

CAS: 1218790-36-3

Formula: C15H22BBrO3

SMILES: CCCOC1=CC(Br)=CC(=C1)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C15H22BBrO3/c1-6-7-18-13-9-11(8-12(17)10-13)16-19-14(2,3)15(4,5)20-16/h8-10H,6-7H2,1-5H3

Composition: C (52.83%), H (6.50%), B (3.17%), Br (23.43%), O (14.07%)

Molar Mass: 341.05

Atom Count: 42

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 340.084538
Formal Charge 0
FSP3 0.6
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey LRPWJRKNTVJVHO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 79.07
Topological Polar Surface Area 27.69
Polarizability 32.93
Ring Count 2
Rotatable Bond Count 4

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