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Home > Boronic Acids > 769968-18-5
769968-18-5 | Acetic acid, [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-,1,1-dimethylethyl ester
CAS No: 769968-18-5 Catalog No: AG01DTQG MDL No:
Product Description
Catalog Number:
AG01DTQG
Chemical Name:
Acetic acid, [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-,1,1-dimethylethyl ester
CAS Number:
769968-18-5
Molecular Formula:
C18H27BO5
Molecular Weight:
334.2150
IUPAC Name:
tert-butyl 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate
InChI:
InChI=1S/C18H27BO5/c1-16(2,3)22-15(20)12-21-14-10-8-9-13(11-14)19-23-17(4,5)18(6,7)24-19/h8-11H,12H2,1-7H3
InChI Key:
MOOZLSQYGNTKMD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)COc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.195g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.219g/mol
Monoisotopic Mass:
334.195g/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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