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Home > Boronic Acids > 454185-98-9
454185-98-9 | Methyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);acetate
CAS No: 454185-98-9 Catalog No: AG006ZNR MDL No:MFCD09997797
Product Description
Catalog Number:
AG006ZNR
Chemical Name:
Methyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);phenyl);acetate
CAS Number:
454185-98-9
Molecular Formula:
C15H21BO4
Molecular Weight:
276.1358
MDL Number:
MFCD09997797
IUPAC Name:
methyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
InChI:
InChI=1S/C15H21BO4/c1-14(2)15(3,4)20-16(19-14)12-8-6-11(7-9-12)10-13(17)18-5/h6-9H,10H2,1-5H3
InChI Key:
NBPODFADVLNXKO-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.153g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.139g/mol
Monoisotopic Mass:
276.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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