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2246676-56-0 | N-(3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide
CAS No: 2246676-56-0 Catalog No: AG01FFXE MDL No:
Product Description
Catalog Number:
AG01FFXE
Chemical Name:
N-(3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide
CAS Number:
2246676-56-0
Molecular Formula:
C19H21BFNO3
Molecular Weight:
341.1843
IUPAC Name:
N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide
InChI:
InChI=1S/C19H21BFNO3/c1-18(2)19(3,4)25-20(24-18)15-11-10-14(12-16(15)21)22-17(23)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,22,23)
InChI Key:
WVMZYSQFFDDVTM-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1B1OC(C(O1)(C)C)(C)C)NC(=O)c1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.16g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.189g/mol
Monoisotopic Mass:
341.16g/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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