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Home > Boronic Acids > 1049730-40-6
1049730-40-6 | 1-(2,2-difluoroethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS No: 1049730-40-6 Catalog No: AG00HAHE MDL No:MFCD18383265
Product Description
Catalog Number:
AG00HAHE
Chemical Name:
1-(2,2-difluoroethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CAS Number:
1049730-40-6
Molecular Formula:
C11H17BF2N2O2
Molecular Weight:
258.0727
MDL Number:
MFCD18383265
IUPAC Name:
1-(2,2-difluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI:
InChI=1S/C11H17BF2N2O2/c1-10(2)11(3,4)18-12(17-10)8-5-15-16(6-8)7-9(13)14/h5-6,9H,7H2,1-4H3
InChI Key:
VIJHBGGAAIINTO-UHFFFAOYSA-N
SMILES:
FC(Cn1ncc(c1)B1OC(C(O1)(C)C)(C)C)F
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.135g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.076g/mol
Monoisotopic Mass:
258.135g/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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