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Home > Boronic Acids > 1440520-87-5
1440520-87-5 | 4-Methylpyrazole-5-boronic acid pinacol ester
CAS No: 1440520-87-5 Catalog No: AG00HX04 MDL No:MFCD18250651
Product Description
Catalog Number:
AG00HX04
Chemical Name:
4-Methylpyrazole-5-boronic acid pinacol ester
CAS Number:
1440520-87-5
Molecular Formula:
C10H17BN2O2
Molecular Weight:
208.0652
MDL Number:
MFCD18250651
IUPAC Name:
4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
InChI:
InChI=1S/C10H17BN2O2/c1-7-6-12-13-8(7)11-14-9(2,3)10(4,5)15-11/h6H,1-5H3,(H,12,13)
InChI Key:
HQYVEZWZGLCNIU-UHFFFAOYSA-N
SMILES:
Cc1cn[nH]c1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.138g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.068g/mol
Monoisotopic Mass:
208.138g/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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