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Home > Boronic Acids > 850568-56-8
850568-56-8 | Boronic acid,B-[4-(1-methylpropyl)phenyl]-
CAS No: 850568-56-8 Catalog No: AG004SHY MDL No:MFCD02179456
Product Description
Catalog Number:
AG004SHY
Chemical Name:
Boronic acid,B-[4-(1-methylpropyl)phenyl]-
CAS Number:
850568-56-8
Molecular Formula:
C10H15BO2
Molecular Weight:
178.0359
MDL Number:
MFCD02179456
IUPAC Name:
(4-butan-2-ylphenyl)boronic acid
InChI:
InChI=1S/C10H15BO2/c1-3-8(2)9-4-6-10(7-5-9)11(12)13/h4-8,12-13H,3H2,1-2H3
InChI Key:
CHSPURIZKQPJNH-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)B(O)O)C
Properties
Complexity:
142
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:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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