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Home > Boronic Acids > 1233525-88-6
1233525-88-6 | 1-Ethyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole
CAS No: 1233525-88-6 Catalog No: AG00HH8Q MDL No:MFCD14155746
Product Description
Catalog Number:
AG00HH8Q
Chemical Name:
1-Ethyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
1233525-88-6
Molecular Formula:
C11H19BN2O2
Molecular Weight:
222.0918
MDL Number:
MFCD14155746
IUPAC Name:
1-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C11H19BN2O2/c1-6-14-8-7-9(13-14)12-15-10(2,3)11(4,5)16-12/h7-8H,6H2,1-5H3
InChI Key:
RPKQFWMLGWLVIU-UHFFFAOYSA-N
SMILES:
CCn1ccc(n1)B1OC(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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