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Home > Boronic Acids > 844501-71-9
844501-71-9 | 1H-Pyrazole, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 844501-71-9 Catalog No: AG00363C MDL No:MFCD07368044
Product Description
Catalog Number:
AG00363C
Chemical Name:
1H-Pyrazole, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
844501-71-9
Molecular Formula:
C9H15BN2O2
Molecular Weight:
194.0386
MDL Number:
MFCD07368044
IUPAC Name:
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
InChI:
InChI=1S/C9H15BN2O2/c1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7/h5-6H,1-4H3,(H,11,12)
InChI Key:
KWLOIDOKWUESNM-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cc[nH]n1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.123g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.041g/mol
Monoisotopic Mass:
194.123g/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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