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Home > Boronic Acids > 942070-86-2
942070-86-2 | 2-(4-BROMOPHENYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)OXAZOLE
CAS No: 942070-86-2 Catalog No: AG006OCW MDL No:
Product Description
Catalog Number:
AG006OCW
Chemical Name:
2-(4-BROMOPHENYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)OXAZOLE
CAS Number:
942070-86-2
Molecular Formula:
C15H17BBrNO3
Molecular Weight:
350.0154
IUPAC Name:
2-(4-bromophenyl)-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)12-9-18-13(19-12)10-5-7-11(17)8-6-10/h5-9H,1-4H3
InChI Key:
KMACEXDUMBSSBA-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1ncc(o1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
369
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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