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Home > Boronic Acids > 1400976-18-2
1400976-18-2 | 2-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzoic acid
CAS No: 1400976-18-2 Catalog No: AG00HVQK MDL No:
Product Description
Catalog Number:
AG00HVQK
Chemical Name:
2-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzoic acid
CAS Number:
1400976-18-2
IUPAC Name:
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C14H16BF3O4/c1-12(2)13(3,4)22-15(21-12)10-7-8(14(16,17)18)5-6-9(10)11(19)20/h5-7H,1-4H3,(H,19,20)
InChI Key:
SWCOUWIBHDXHEY-UHFFFAOYSA-N
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.109g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.083g/mol
Monoisotopic Mass:
316.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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