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Home > Boronic Acids > 133997-05-4
133997-05-4 | 4-(N-OCTYL)BENZENEBORONIC ACID
CAS No: 133997-05-4 Catalog No: AG009AVT MDL No:MFCD04039034
Product Description
Catalog Number:
AG009AVT
Chemical Name:
4-(N-OCTYL)BENZENEBORONIC ACID
CAS Number:
133997-05-4
Molecular Formula:
C14H23BO2
Molecular Weight:
234.1422
MDL Number:
MFCD04039034
IUPAC Name:
(4-octylphenyl)boronic acid
InChI:
InChI=1S/C14H23BO2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12,16-17H,2-8H2,1H3
InChI Key:
HUKDAABRKOWPNA-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(cc1)B(O)O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.179g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.146g/mol
Monoisotopic Mass:
234.179g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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