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Home > Boronic Acids > 1073355-16-4
1073355-16-4 | Methyl 2-(benzyloxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS No: 1073355-16-4 Catalog No: AG0084VR MDL No:MFCD09864186
Product Description
Catalog Number:
AG0084VR
Chemical Name:
Methyl 2-(benzyloxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS Number:
1073355-16-4
Molecular Formula:
C21H25BO5
Molecular Weight:
368.2312
MDL Number:
MFCD09864186
IUPAC Name:
methyl 2-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C21H25BO5/c1-20(2)21(3,4)27-22(26-20)16-11-12-17(19(23)24-5)18(13-16)25-14-15-9-7-6-8-10-15/h6-13H,14H2,1-5H3
InChI Key:
PBHDAXIPBGMAKU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1OCc1ccccc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
499
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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