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Home > Boronic Acids > 1158941-47-9
1158941-47-9 | Boronic acid, B-[2-(4-thiomorpholinylmethyl)phenyl]-
CAS No: 1158941-47-9 Catalog No: AG000H21 MDL No:MFCD12025994
Product Description
Catalog Number:
AG000H21
Chemical Name:
Boronic acid, B-[2-(4-thiomorpholinylmethyl)phenyl]-
CAS Number:
1158941-47-9
Molecular Formula:
C11H16BNO2S
Molecular Weight:
237.1262
MDL Number:
MFCD12025994
IUPAC Name:
[2-(thiomorpholin-4-ylmethyl)phenyl]boronic acid
InChI:
InChI=1S/C11H16BNO2S/c14-12(15)11-4-2-1-3-10(11)9-13-5-7-16-8-6-13/h1-4,14-15H,5-9H2
InChI Key:
PTMSIHHLEIKCOO-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1CN1CCSCC1)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.124g/mol
Monoisotopic Mass:
237.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Phenylboronic-acid-based carbohydrate binders as antiviral therapeutics: monophenylboronic acids. | Antiviral chemistry & chemotherapy 20100811 |
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