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Home > Boronic Acids > 1218791-32-2
1218791-32-2 | Benzoic acid, 3,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1218791-32-2 Catalog No: AG0016BO MDL No:MFCD12546491
Product Description
Catalog Number:
AG0016BO
Chemical Name:
Benzoic acid, 3,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1218791-32-2
Molecular Formula:
C14H17BF2O4
Molecular Weight:
298.0902
MDL Number:
MFCD12546491
IUPAC Name:
methyl 3,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C14H17BF2O4/c1-13(2)14(3,4)21-15(20-13)11-9(16)6-8(7-10(11)17)12(18)19-5/h6-7H,1-5H3
InChI Key:
CGADBVGBEFYTMK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(c(c1)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.093g/mol
Monoisotopic Mass:
298.119g/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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