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Home > Boronic Acids > 854778-48-6
854778-48-6 | 3-(Benzylthio)phenylboronic acid
CAS No: 854778-48-6 Catalog No: AG0036CT MDL No:MFCD18914503
Product Description
Catalog Number:
AG0036CT
Chemical Name:
3-(Benzylthio)phenylboronic acid
CAS Number:
854778-48-6
Molecular Formula:
C13H13BO2S
Molecular Weight:
244.1171
MDL Number:
MFCD18914503
IUPAC Name:
(3-benzylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C13H13BO2S/c15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11/h1-9,15-16H,10H2
InChI Key:
RVFUWXHBQUHFJW-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)SCc1ccccc1)O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.115g/mol
Monoisotopic Mass:
244.073g/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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