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Home > Boronic Acids > 949022-45-1
949022-45-1 | 3-Benzoylphenylboronic acid pinacol ester
CAS No: 949022-45-1 Catalog No: AG00IIN7 MDL No:MFCD09750926
Product Description
Catalog Number:
AG00IIN7
Chemical Name:
3-Benzoylphenylboronic acid pinacol ester
CAS Number:
949022-45-1
Molecular Formula:
C19H21BO3
Molecular Weight:
308.1792
MDL Number:
MFCD09750926
IUPAC Name:
phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
InChI:
InChI=1S/C19H21BO3/c1-18(2)19(3,4)23-20(22-18)16-12-8-11-15(13-16)17(21)14-9-6-5-7-10-14/h5-13H,1-4H3
InChI Key:
LAELVQOXYPYWJZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)c1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.184g/mol
Monoisotopic Mass:
308.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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