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Home > Boronic Acids > 1628214-30-1
1628214-30-1 | 5-fluoro-1-(propan-2-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No: 1628214-30-1 Catalog No: AG01BBWI MDL No:MFCD28714635
Product Description
Catalog Number:
AG01BBWI
Chemical Name:
5-fluoro-1-(propan-2-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
1628214-30-1
Molecular Formula:
C12H20BFN2O2
Molecular Weight:
254.1088
MDL Number:
MFCD28714635
IUPAC Name:
5-fluoro-1-propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C12H20BFN2O2/c1-8(2)16-10(14)9(7-15-16)13-17-11(3,4)12(5,6)18-13/h7-8H,1-6H3
InChI Key:
WXJFIYCXYOQETF-UHFFFAOYSA-N
SMILES:
CC(n1ncc(c1F)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.16g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.112g/mol
Monoisotopic Mass:
254.16g/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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