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Home > Boronic Acids > 1073493-92-1
1073493-92-1 | 4-(t-Butoxycarbonyl)-2-methylphenylboronic acid, pinacol ester
CAS No: 1073493-92-1 Catalog No: AG00HAZP MDL No:MFCD22494127
Product Description
Catalog Number:
AG00HAZP
Chemical Name:
4-(t-Butoxycarbonyl)-2-methylphenylboronic acid, pinacol ester
CAS Number:
1073493-92-1
Molecular Formula:
C18H27BO4
Molecular Weight:
318.2156
MDL Number:
MFCD22494127
IUPAC Name:
tert-butyl 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C18H27BO4/c1-12-11-13(15(20)21-16(2,3)4)9-10-14(12)19-22-17(5,6)18(7,8)23-19/h9-11H,1-8H3
InChI Key:
OZXRFFSWFUALSU-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)C)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.2g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.22g/mol
Monoisotopic Mass:
318.2g/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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