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Home > Boronic Acids > 1309982-50-0
1309982-50-0 | 2-(1H-Pyrazol-1-yl)thiazole-4-boronic acid pinacol ester
CAS No: 1309982-50-0 Catalog No: AG018Q2X MDL No:MFCD09607684
Product Description
Catalog Number:
AG018Q2X
Chemical Name:
2-(1H-Pyrazol-1-yl)thiazole-4-boronic acid pinacol ester
CAS Number:
1309982-50-0
Molecular Formula:
C12H16BN3O2S
Molecular Weight:
277.1503
MDL Number:
MFCD09607684
IUPAC Name:
2-pyrazol-1-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
InChI:
InChI=1S/C12H16BN3O2S/c1-11(2)12(3,4)18-13(17-11)9-8-19-10(15-9)16-7-5-6-14-16/h5-8H,1-4H3
InChI Key:
GBQUNLCXIYVGML-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1csc(n1)n1cccn1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.149g/mol
Monoisotopic Mass:
277.106g/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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