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Home > Boronic Acids > 67975-88-6
67975-88-6 | Boronic acid, [(phenylthio)methyl]-
CAS No: 67975-88-6 Catalog No: AG0061NL MDL No:
Product Description
Catalog Number:
AG0061NL
Chemical Name:
Boronic acid, [(phenylthio)methyl]-
CAS Number:
67975-88-6
Molecular Formula:
C7H9BO2S
Molecular Weight:
168.0212
IUPAC Name:
phenylsulfanylmethylboronic acid
InChI:
InChI=1S/C7H9BO2S/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5,9-10H,6H2
InChI Key:
BBSBLQCNOLCFLU-UHFFFAOYSA-N
SMILES:
OB(CSc1ccccc1)O
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.017g/mol
Monoisotopic Mass:
168.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis of boronic acid analogues of alpha-amino acids by introducing side chains as electrophiles. | The Journal of organic chemistry 20010921 |
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