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Home > Boronic Acids > 1016979-31-9
1016979-31-9 | Benzoic acid, 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1016979-31-9 Catalog No: AG00057Z MDL No:MFCD12546616
Product Description
Catalog Number:
AG00057Z
Chemical Name:
Benzoic acid, 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1016979-31-9
Molecular Formula:
C14H18BFO4
Molecular Weight:
280.0997
MDL Number:
MFCD12546616
IUPAC Name:
methyl 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C14H18BFO4/c1-13(2)14(3,4)20-15(19-13)10-6-9(12(17)18-5)7-11(16)8-10/h6-8H,1-5H3
InChI Key:
GAMWSJVNEMEOFP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.128g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.102g/mol
Monoisotopic Mass:
280.128g/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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