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Home > Boronic Acids > 1008119-07-0
1008119-07-0 | Benzoic acid, 2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1008119-07-0 Catalog No: AG0002XQ MDL No:MFCD16996277
Product Description
Catalog Number:
AG0002XQ
Chemical Name:
Benzoic acid, 2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1008119-07-0
Molecular Formula:
C13H15BF2O4
Molecular Weight:
284.0636
MDL Number:
MFCD16996277
IUPAC Name:
2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C13H15BF2O4/c1-12(2)13(3,4)20-14(19-12)7-5-8(15)10(11(17)18)9(16)6-7/h5-6H,1-4H3,(H,17,18)
InChI Key:
OGQFSRYMVQGPRZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)cc(cc1F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.066g/mol
Monoisotopic Mass:
284.103g/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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