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Home > Boronic Acids > 957346-54-2
957346-54-2 | 3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CAS No: 957346-54-2 Catalog No: AG006BKF MDL No:MFCD18732743
Product Description
Catalog Number:
AG006BKF
Chemical Name:
3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CAS Number:
957346-54-2
Molecular Formula:
C13H17BFNO3
Molecular Weight:
265.0884
MDL Number:
MFCD18732743
IUPAC Name:
3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C13H17BFNO3/c1-12(2)13(3,4)19-14(18-12)9-6-5-8(11(16)17)7-10(9)15/h5-7H,1-4H3,(H2,16,17)
InChI Key:
UKBHJXNAIHHVEH-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1B1OC(C(O1)(C)C)(C)C)C(=O)N
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.129g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.091g/mol
Monoisotopic Mass:
265.129g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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