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Home > Boronic Acids > 105365-50-2
105365-50-2 | 4-Hexylphenylboronic Acid
CAS No: 105365-50-2 Catalog No: AG00341T MDL No:MFCD04039029
Product Description
Catalog Number:
AG00341T
Chemical Name:
4-Hexylphenylboronic Acid
CAS Number:
105365-50-2
Molecular Formula:
C12H19BO2
Molecular Weight:
206.0891
MDL Number:
MFCD04039029
IUPAC Name:
(4-hexylphenyl)boronic acid
InChI:
InChI=1S/C12H19BO2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10,14-15H,2-6H2,1H3
InChI Key:
CFYBKGAFWFRFRJ-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)B(O)O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.148g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.092g/mol
Monoisotopic Mass:
206.148g/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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