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Home > Boronic Acids > 1218789-48-0
1218789-48-0 | 1,3,2-Dioxaborolane, 2-[3-bromo-5-(2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-
CAS No: 1218789-48-0 Catalog No: AG00167J MDL No:MFCD12546587
Product Description
Catalog Number:
AG00167J
Chemical Name:
1,3,2-Dioxaborolane, 2-[3-bromo-5-(2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-
CAS Number:
1218789-48-0
Molecular Formula:
C16H24BBrO3
Molecular Weight:
355.0750
MDL Number:
MFCD12546587
IUPAC Name:
2-[3-bromo-5-(2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C16H24BBrO3/c1-11(2)10-19-14-8-12(7-13(18)9-14)17-20-15(3,4)16(5,6)21-17/h7-9,11H,10H2,1-6H3
InChI Key:
VVMZHSGGZYYKRX-UHFFFAOYSA-N
SMILES:
CC(COc1cc(Br)cc(c1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.079g/mol
Monoisotopic Mass:
354.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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