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Home > Boronic Acids > 1256358-85-6
1256358-85-6 | [1,1'-Biphenyl]-3-carboxylic acid, 4'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1256358-85-6 Catalog No: AG000O6G MDL No:MFCD16294535
Product Description
Catalog Number:
AG000O6G
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1256358-85-6
Molecular Formula:
C20H23BO4
Molecular Weight:
338.2052
MDL Number:
MFCD16294535
IUPAC Name:
methyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzoate
InChI:
InChI=1S/C20H23BO4/c1-19(2)20(3,4)25-21(24-19)17-11-9-14(10-12-17)15-7-6-8-16(13-15)18(22)23-5/h6-13H,1-5H3
InChI Key:
WHJJVEIJHJEWDK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.169g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.21g/mol
Monoisotopic Mass:
338.169g/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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