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Home > Boronic Acids > 903895-48-7
903895-48-7 | 3-TERT-BUTOXYCARBONYLPHENYLBORONIC ACID PINACOL ESTER
CAS No: 903895-48-7 Catalog No: AG00GT0H MDL No:MFCD03453057
Product Description
Catalog Number:
AG00GT0H
Chemical Name:
3-TERT-BUTOXYCARBONYLPHENYLBORONIC ACID PINACOL ESTER
CAS Number:
903895-48-7
Molecular Formula:
C17H25BO4
Molecular Weight:
304.1890
MDL Number:
MFCD03453057
IUPAC Name:
tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C17H25BO4/c1-15(2,3)20-14(19)12-9-8-10-13(11-12)18-21-16(4,5)17(6,7)22-18/h8-11H,1-7H3
InChI Key:
VOLNBIZKQGSQMP-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.185g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.193g/mol
Monoisotopic Mass:
304.185g/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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