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Home > Boronic Acids > 1025718-75-5
1025718-75-5 | Benzoic acid, 4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1025718-75-5 Catalog No: AG0007RD MDL No:
Product Description
Catalog Number:
AG0007RD
Chemical Name:
Benzoic acid, 4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1025718-75-5
Molecular Formula:
C17H24BClO4
Molecular Weight:
338.6341
IUPAC Name:
tert-butyl 4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C17H24BClO4/c1-15(2,3)21-14(20)11-8-9-13(19)12(10-11)18-22-16(4,5)17(6,7)23-18/h8-10H,1-7H3
InChI Key:
ZBLUTHOBKQHPSC-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)Cl)OC(C)(C)C
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.146g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.635g/mol
Monoisotopic Mass:
338.146g/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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