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Home > Boronic Acids > 872341-95-2
872341-95-2 | 4'-borono-[1,1'-biphenyl]-4-carboxylic acid
CAS No: 872341-95-2 Catalog No: AG00GU9U MDL No:MFCD29077670
Product Description
Catalog Number:
AG00GU9U
Chemical Name:
4'-borono-[1,1'-biphenyl]-4-carboxylic acid
CAS Number:
872341-95-2
Molecular Formula:
C19H21BO4
Molecular Weight:
324.1786
MDL Number:
MFCD29077670
IUPAC Name:
4-(4-boronophenyl)benzoic acid
InChI:
InChI=1S/C13H11BO4/c15-13(16)11-3-1-9(2-4-11)10-5-7-12(8-6-10)14(17)18/h1-8,17-18H,(H,15,16)
InChI Key:
CYHASYNKKTWLFZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
242.037g/mol
Monoisotopic Mass:
242.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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