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1047644-76-7 | 1,4-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole
CAS No: 1047644-76-7 Catalog No: AG003DOW MDL No:MFCD12400853
Product Description
Catalog Number:
AG003DOW
Chemical Name:
1,4-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole
CAS Number:
1047644-76-7
Molecular Formula:
C11H19BN2O2
Molecular Weight:
222.0918
MDL Number:
MFCD12400853
IUPAC Name:
1,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C11H19BN2O2/c1-8-7-13-14(6)9(8)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3
InChI Key:
NOZSCXDKBYFTBH-UHFFFAOYSA-N
SMILES:
Cc1cnn(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:
0
Isotope Atom Count:
0
Molecular Weight:
222.095g/mol
Monoisotopic Mass:
222.154g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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