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Home > Boronic Acids > 942070-82-8
942070-82-8 | 4-BROMO-2-PHENYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)OXAZOLE
CAS No: 942070-82-8 Catalog No: AG005SK2 MDL No:
Product Description
Catalog Number:
AG005SK2
Chemical Name:
4-BROMO-2-PHENYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)OXAZOLE
CAS Number:
942070-82-8
Molecular Formula:
C15H17BBrNO3
Molecular Weight:
350.0154
IUPAC Name:
4-bromo-2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazole
InChI:
InChI=1S/C15H17BBrNO3/c1-14(2)15(3,4)21-16(20-14)11-12(17)18-13(19-11)10-8-6-5-7-9-10/h5-9H,1-4H3
InChI Key:
DXYVMWGYFKNIRQ-UHFFFAOYSA-N
SMILES:
Brc1nc(oc1B1OC(C(O1)(C)C)(C)C)c1ccccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.048g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.019g/mol
Monoisotopic Mass:
349.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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