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Home > Boronic Acids > 1082503-79-4
1082503-79-4 | 1-Ethyl-3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole
CAS No: 1082503-79-4 Catalog No: AG0083VI MDL No:MFCD16659792
Product Description
Catalog Number:
AG0083VI
Chemical Name:
1-Ethyl-3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole
CAS Number:
1082503-79-4
Molecular Formula:
C13H23BN2O2
Molecular Weight:
250.1449
MDL Number:
MFCD16659792
IUPAC Name:
1-ethyl-3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C13H23BN2O2/c1-8-16-10(3)11(9(2)15-16)14-17-12(4,5)13(6,7)18-14/h8H2,1-7H3
InChI Key:
WCVMGDHLFGKAEC-UHFFFAOYSA-N
SMILES:
CCn1nc(c(c1C)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.185g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.149g/mol
Monoisotopic Mass:
250.185g/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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