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Home > Boronic Acids > 1218789-50-4
1218789-50-4 | Phenol, 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1218789-50-4 Catalog No: AG00167H MDL No:MFCD12546589
Product Description
Catalog Number:
AG00167H
Chemical Name:
Phenol, 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1218789-50-4
Molecular Formula:
C12H16BBrO3
Molecular Weight:
298.9686
MDL Number:
MFCD12546589
IUPAC Name:
3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
InChI:
InChI=1S/C12H16BBrO3/c1-11(2)12(3,4)17-13(16-11)8-5-9(14)7-10(15)6-8/h5-7,15H,1-4H3
InChI Key:
SZNZHUSGGFDSIP-UHFFFAOYSA-N
SMILES:
Oc1cc(Br)cc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.038g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.971g/mol
Monoisotopic Mass:
298.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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