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2246895-97-4 | N-[2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,2-dimethylpropanamide
CAS No: 2246895-97-4 Catalog No: AG00RQLT MDL No:
Product Description
Catalog Number:
AG00RQLT
Chemical Name:
N-[2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,2-dimethylpropanamide
CAS Number:
2246895-97-4
Molecular Formula:
C17H25BFNO3
Molecular Weight:
321.1947
IUPAC Name:
N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,2-dimethylpropanamide
InChI:
InChI=1S/C17H25BFNO3/c1-15(2,3)14(21)20-13-9-8-11(10-12(13)19)18-22-16(4,5)17(6,7)23-18/h8-10H,1-7H3,(H,20,21)
InChI Key:
SBMZYZQZGQNMPK-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1NC(=O)C(C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.191g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.199g/mol
Monoisotopic Mass:
321.191g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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