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145240-28-4 | Boronic acid, B-(4-butylphenyl)-
CAS No: 145240-28-4 Catalog No: AG001KPQ MDL No:MFCD02093926
Product Description
Catalog Number:
AG001KPQ
Chemical Name:
Boronic acid, B-(4-butylphenyl)-
CAS Number:
145240-28-4
Molecular Formula:
C10H15BO2
Molecular Weight:
178.0359
MDL Number:
MFCD02093926
IUPAC Name:
(4-butylphenyl)boronic acid
InChI:
InChI=1S/C10H15BO2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8,12-13H,2-4H2,1H3
InChI Key:
UGZUUTHZEATQAM-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)B(O)O
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.117g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.038g/mol
Monoisotopic Mass:
178.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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