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Home > Boronic Acids > 1007110-53-3
1007110-53-3 | 1H-Pyrazole, 1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1007110-53-3 Catalog No: AG0002OQ MDL No:MFCD16659009
Product Description
Catalog Number:
AG0002OQ
Chemical Name:
1H-Pyrazole, 1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1007110-53-3
Molecular Formula:
C11H19BN2O2
Molecular Weight:
222.0918
MDL Number:
MFCD16659009
IUPAC Name:
1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C11H19BN2O2/c1-6-14-9(7-8-13-14)12-15-10(2,3)11(4,5)16-12/h7-8H,6H2,1-5H3
InChI Key:
PKJCXHILXIEALN-UHFFFAOYSA-N
SMILES:
CCn1nccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
255
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:
0
Isotope Atom Count:
0
Molecular Weight:
222.095g/mol
Monoisotopic Mass:
222.154g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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