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Home > Boronic Acids > 151588-39-5
151588-39-5 | Boronic acid, [4-(hexylthio)phenyl]-
CAS No: 151588-39-5 Catalog No: AG007WY7 MDL No:
Product Description
Catalog Number:
AG007WY7
Chemical Name:
Boronic acid, [4-(hexylthio)phenyl]-
CAS Number:
151588-39-5
Molecular Formula:
C12H19BO2S
Molecular Weight:
238.1541
IUPAC Name:
(4-hexylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C12H19BO2S/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9,14-15H,2-5,10H2,1H3
InChI Key:
AFWKCJULYLAZEN-UHFFFAOYSA-N
SMILES:
CCCCCCSc1ccc(cc1)B(O)O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.12g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.152g/mol
Monoisotopic Mass:
238.12g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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