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Home > Boronic Acids > 1700820-20-7
1700820-20-7 | 3-METHYL-1-(THIAZOL-2-YL)-1H-PYRAZOLE-4-BORONIC ACID PINACOL ESTER
CAS No: 1700820-20-7 Catalog No: AG01BINQ MDL No:MFCD27951756
Product Description
Catalog Number:
AG01BINQ
Chemical Name:
3-METHYL-1-(THIAZOL-2-YL)-1H-PYRAZOLE-4-BORONIC ACID PINACOL ESTER
CAS Number:
1700820-20-7
Molecular Formula:
C13H18BN3O2S
Molecular Weight:
291.1769
MDL Number:
MFCD27951756
IUPAC Name:
2-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]-1,3-thiazole
InChI:
InChI=1S/C13H18BN3O2S/c1-9-10(8-17(16-9)11-15-6-7-20-11)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3
InChI Key:
ROQNDSXQMZYKKJ-UHFFFAOYSA-N
SMILES:
Cc1nn(cc1B1OC(C(O1)(C)C)(C)C)c1nccs1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.176g/mol
Monoisotopic Mass:
291.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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