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Home > Boronic Acids > 1256346-42-5
1256346-42-5 | Boronic acid, B-[3-(cyclobutylthio)phenyl]-
CAS No: 1256346-42-5 Catalog No: AG000O26 MDL No:MFCD17015747
Product Description
Catalog Number:
AG000O26
Chemical Name:
Boronic acid, B-[3-(cyclobutylthio)phenyl]-
CAS Number:
1256346-42-5
Molecular Formula:
C10H13BO2S
Molecular Weight:
208.0850
MDL Number:
MFCD17015747
IUPAC Name:
(3-cyclobutylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C10H13BO2S/c12-11(13)8-3-1-6-10(7-8)14-9-4-2-5-9/h1,3,6-7,9,12-13H,2,4-5H2
InChI Key:
PMSWXHXJHVIBGW-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)SC1CCC1)O
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.073g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.082g/mol
Monoisotopic Mass:
208.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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