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Home > Boronic Acids > 957061-13-1
957061-13-1 | 2-(4-(3-Bromopropoxy);phenyl);-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS No: 957061-13-1 Catalog No: AG00H83Y MDL No:MFCD09258657
Product Description
Catalog Number:
AG00H83Y
Chemical Name:
2-(4-(3-Bromopropoxy);phenyl);-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number:
957061-13-1
Molecular Formula:
C15H22BBrO3
Molecular Weight:
341.0484
MDL Number:
MFCD09258657
IUPAC Name:
2-[4-(3-bromopropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C15H22BBrO3/c1-14(2)15(3,4)20-16(19-14)12-6-8-13(9-7-12)18-11-5-10-17/h6-9H,5,10-11H2,1-4H3
InChI Key:
YSXHRXGAAAOXSO-UHFFFAOYSA-N
SMILES:
BrCCCOc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.052g/mol
Monoisotopic Mass:
340.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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