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Home > Boronic Acids > 1049730-39-3
1049730-39-3 | 1-(2-FLUOROETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1 H-PYRAZOLE
CAS No: 1049730-39-3 Catalog No: AG0095EA MDL No:MFCD18383266
Product Description
Catalog Number:
AG0095EA
Chemical Name:
1-(2-FLUOROETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1 H-PYRAZOLE
CAS Number:
1049730-39-3
Molecular Formula:
C11H18BFN2O2
Molecular Weight:
240.0822
MDL Number:
MFCD18383266
IUPAC Name:
1-(2-fluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C11H18BFN2O2/c1-10(2)11(3,4)17-12(16-10)9-7-14-15(8-9)6-5-13/h7-8H,5-6H2,1-4H3
InChI Key:
DPULQKXQKDFFPR-UHFFFAOYSA-N
SMILES:
FCCn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.145g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.085g/mol
Monoisotopic Mass:
240.145g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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