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Home > Boronic Acids > 1150561-63-9
1150561-63-9 | Benzoic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)-, methyl ester
CAS No: 1150561-63-9 Catalog No: AG000FT2 MDL No:MFCD12026096
Product Description
Catalog Number:
AG000FT2
Chemical Name:
Benzoic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)-, methyl ester
CAS Number:
1150561-63-9
Molecular Formula:
C15H18BF3O5
Molecular Weight:
346.1066
MDL Number:
MFCD12026096
IUPAC Name:
methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)benzoate
InChI:
InChI=1S/C15H18BF3O5/c1-13(2)14(3,4)24-16(23-13)10-6-9(12(20)21-5)7-11(8-10)22-15(17,18)19/h6-8H,1-5H3
InChI Key:
NLRSCERUFCDHRU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)B1OC(C(O1)(C)C)(C)C)OC(F)(F)F
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.12g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.109g/mol
Monoisotopic Mass:
346.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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