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Home > Boronic Acids > 1045795-70-7
1045795-70-7 | Methyl 4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoroMethyl)benzoate
CAS No: 1045795-70-7 Catalog No: AG0095O4 MDL No:MFCD19105387
Product Description
Catalog Number:
AG0095O4
Chemical Name:
Methyl 4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoroMethyl)benzoate
CAS Number:
1045795-70-7
Molecular Formula:
C15H18BF3O4
Molecular Weight:
330.1072
MDL Number:
MFCD19105387
IUPAC Name:
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzoate
InChI:
InChI=1S/C15H18BF3O4/c1-13(2)14(3,4)23-16(22-13)9-6-7-10(12(20)21-5)11(8-9)15(17,18)19/h6-8H,1-5H3
InChI Key:
FKZBIAASSSCFDM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.125g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.11g/mol
Monoisotopic Mass:
330.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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