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Home > Boronic Acids > 690632-26-9
690632-26-9 | METHYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-BENZOTHIOPHENE-2-CARBOXYLATE
CAS No: 690632-26-9 Catalog No: AG00FB4M MDL No:MFCD05865112
Product Description
Catalog Number:
AG00FB4M
Chemical Name:
METHYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-BENZOTHIOPHENE-2-CARBOXYLATE
CAS Number:
690632-26-9
Molecular Formula:
C16H19BO4S
Molecular Weight:
318.1957
MDL Number:
MFCD05865112
IUPAC Name:
methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C16H19BO4S/c1-15(2)16(3,4)21-17(20-15)11-6-7-12-10(8-11)9-13(22-12)14(18)19-5/h6-9H,1-5H3
InChI Key:
XCYQFYKHKQJYJP-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1)cc(cc2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.194g/mol
Monoisotopic Mass:
318.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| A CB(2) receptor agonist, A-836339, modulates wide dynamic range neuronal activity in neuropathic rats: contributions of spinal and peripheral CB(2) receptors. | Neuroscience 20090218 |
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