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Home > Boronic Acids > 1813552-97-4
1813552-97-4 | Methyl 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)methyl)benzoate
CAS No: 1813552-97-4 Catalog No: AG01FFXW MDL No:
Product Description
Catalog Number:
AG01FFXW
Chemical Name:
Methyl 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)methyl)benzoate
CAS Number:
1813552-97-4
Molecular Formula:
C21H25BO5
Molecular Weight:
368.2312
IUPAC Name:
methyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]benzoate
InChI:
InChI=1S/C21H25BO5/c1-20(2)21(3,4)27-22(26-20)17-10-12-18(13-11-17)25-14-15-6-8-16(9-7-15)19(23)24-5/h6-13H,14H2,1-5H3
InChI Key:
FCBOZPNRJJQOLK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)COc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.18g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.236g/mol
Monoisotopic Mass:
368.18g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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