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Home > Boronic Acids > 1025718-78-8
1025718-78-8 | Benzoic acid, 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1025718-78-8 Catalog No: AG0007RC MDL No:MFCD12405334
Product Description
Catalog Number:
AG0007RC
Chemical Name:
Benzoic acid, 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1025718-78-8
Molecular Formula:
C14H18BBrO4
Molecular Weight:
341.0053
MDL Number:
MFCD12405334
IUPAC Name:
methyl 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C14H18BBrO4/c1-13(2)14(3,4)20-15(19-13)10-6-9(12(17)18-5)7-11(16)8-10/h6-8H,1-5H3
InChI Key:
YTLNMWYKZKGCOV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)Br)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:
340.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.008g/mol
Monoisotopic Mass:
340.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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