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Home > Boronic Acids > 915401-99-9
915401-99-9 | 3-(1-Propylthio)-benzeneboronic acid
CAS No: 915401-99-9 Catalog No: AG00GUY2 MDL No:MFCD08706280
Product Description
Catalog Number:
AG00GUY2
Chemical Name:
3-(1-Propylthio)-benzeneboronic acid
CAS Number:
915401-99-9
Molecular Formula:
C9H13BO2S
Molecular Weight:
196.0743
MDL Number:
MFCD08706280
IUPAC Name:
(3-propylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO2S/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7,11-12H,2,6H2,1H3
InChI Key:
TYEQDWKWEXCQBX-UHFFFAOYSA-N
SMILES:
CCCSc1cccc(c1)B(O)O
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.073g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.071g/mol
Monoisotopic Mass:
196.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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