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Home > Boronic Acids > 475250-52-3
475250-52-3 | 4-Methoxybenzylboronic acid pinacol ester
CAS No: 475250-52-3 Catalog No: AG003LNG MDL No:MFCD10698526
Product Description
Catalog Number:
AG003LNG
Chemical Name:
4-Methoxybenzylboronic acid pinacol ester
CAS Number:
475250-52-3
Molecular Formula:
C14H21BO3
Molecular Weight:
248.1257
MDL Number:
MFCD10698526
IUPAC Name:
2-[(4-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H21BO3/c1-13(2)14(3,4)18-15(17-13)10-11-6-8-12(16-5)9-7-11/h6-9H,10H2,1-5H3
InChI Key:
HPNLRRQVSZVKHY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CB1OC(C(O1)(C)C)(C)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.129g/mol
Monoisotopic Mass:
248.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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