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Home > Boronic Acids > 1402233-46-8
1402233-46-8 | 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CAS No: 1402233-46-8 Catalog No: AG01B587 MDL No:MFCD21099750
Product Description
Catalog Number:
AG01B587
Chemical Name:
4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazole
CAS Number:
1402233-46-8
Molecular Formula:
C16H18BF3N2O2
Molecular Weight:
338.1325
MDL Number:
MFCD21099750
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazole
InChI:
InChI=1S/C16H18BF3N2O2/c1-14(2)15(3,4)24-17(23-14)12-9-21-22(10-12)13-7-5-11(6-8-13)16(18,19)20/h5-10H,1-4H3
InChI Key:
QXNKAJOUMBWCGK-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnn(c1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.141g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.137g/mol
Monoisotopic Mass:
338.141g/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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