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Home > Boronic Acids > 857530-80-4
857530-80-4 | 3,5-Dimethylpyrazole-4-boronic Acid Pinacol Ester
CAS No: 857530-80-4 Catalog No: AG0033JP MDL No:MFCD05663852
Product Description
Catalog Number:
AG0033JP
Chemical Name:
3,5-Dimethylpyrazole-4-boronic Acid Pinacol Ester
CAS Number:
857530-80-4
Molecular Formula:
C11H19BN2O2
Molecular Weight:
222.0918
MDL Number:
MFCD05663852
IUPAC Name:
3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
InChI:
InChI=1S/C11H19BN2O2/c1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12/h1-6H3,(H,13,14)
InChI Key:
GNUDAJTUCJEBEI-UHFFFAOYSA-N
SMILES:
Cc1[nH]nc(c1B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.154g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.095g/mol
Monoisotopic Mass:
222.154g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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