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Home > Boronic Acids > 1256781-61-9
1256781-61-9 | Phenol, 2,4-dibromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1256781-61-9 Catalog No: AG000OBO MDL No:MFCD17215824
Product Description
Catalog Number:
AG000OBO
Chemical Name:
Phenol, 2,4-dibromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1256781-61-9
Molecular Formula:
C12H15BBr2O3
Molecular Weight:
377.8647
MDL Number:
MFCD17215824
IUPAC Name:
2,4-dibromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
InChI:
InChI=1S/C12H15BBr2O3/c1-11(2)12(3,4)18-13(17-11)9-7(14)5-6-8(16)10(9)15/h5-6,16H,1-4H3
InChI Key:
LXTGMRKXRZPUKV-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1B1OC(C(O1)(C)C)(C)C)Br)O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.946g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.867g/mol
Monoisotopic Mass:
375.948g/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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