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Home > Boronic Acids > 1486485-54-4
1486485-54-4 | 1-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-3-(trifluoromethyl)-1H-pyrazole
CAS No: 1486485-54-4 Catalog No: AG019SY1 MDL No:MFCD21602469
Product Description
Catalog Number:
AG019SY1
Chemical Name:
1-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-3-(trifluoromethyl)-1H-pyrazole
CAS Number:
1486485-54-4
Molecular Formula:
C17H20BF3N2O2
Molecular Weight:
352.1591
MDL Number:
MFCD21602469
IUPAC Name:
1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C17H20BF3N2O2/c1-15(2)16(3,4)25-18(24-15)13-7-5-12(6-8-13)11-23-10-9-14(22-23)17(19,20)21/h5-10H,11H2,1-4H3
InChI Key:
VXFROXLOVQLZJN-UHFFFAOYSA-N
SMILES:
FC(c1ccn(n1)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.157g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.164g/mol
Monoisotopic Mass:
352.157g/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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