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Home > Boronic Acids > 121554-18-5
121554-18-5 | Boronic acid, B-(4'-pentyl[1,1'-biphenyl]-4-yl)-
CAS No: 121554-18-5 Catalog No: AG00159U MDL No:MFCD07644474
Product Description
Catalog Number:
AG00159U
Chemical Name:
Boronic acid, B-(4'-pentyl[1,1'-biphenyl]-4-yl)-
CAS Number:
121554-18-5
Molecular Formula:
C17H21BO2
Molecular Weight:
268.1584
MDL Number:
MFCD07644474
IUPAC Name:
[4-(4-pentylphenyl)phenyl]boronic acid
InChI:
InChI=1S/C17H21BO2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13,19-20H,2-5H2,1H3
InChI Key:
QRZCEXCQSFQDMG-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)c1ccc(cc1)B(O)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.163g/mol
Monoisotopic Mass:
268.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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