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Home > Boronic Acids > 1257078-80-0
1257078-80-0 | 4-Benzyloxy-3-methylphenylboronic acid pinacol ester
CAS No: 1257078-80-0 Catalog No: AG00HIFR MDL No:MFCD18383421
Product Description
Catalog Number:
AG00HIFR
Chemical Name:
4-Benzyloxy-3-methylphenylboronic acid pinacol ester
CAS Number:
1257078-80-0
Molecular Formula:
C20H25BO3
Molecular Weight:
324.2217
MDL Number:
MFCD18383421
IUPAC Name:
4,4,5,5-tetramethyl-2-(3-methyl-4-phenylmethoxyphenyl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C20H25BO3/c1-15-13-17(21-23-19(2,3)20(4,5)24-21)11-12-18(15)22-14-16-9-7-6-8-10-16/h6-13H,14H2,1-5H3
InChI Key:
OVDZZKAGMVSQSX-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1OCc1ccccc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.19g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.227g/mol
Monoisotopic Mass:
324.19g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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