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Home > Boronic Acids > 850567-58-7
850567-58-7 | N-(4-Fluorophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CAS No: 850567-58-7 Catalog No: AG004Z7X MDL No:MFCD06659930
Product Description
Catalog Number:
AG004Z7X
Chemical Name:
N-(4-Fluorophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CAS Number:
850567-58-7
Molecular Formula:
C19H21BFNO3
Molecular Weight:
341.1843
MDL Number:
MFCD06659930
IUPAC Name:
N-(4-fluorophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C19H21BFNO3/c1-18(2)19(3,4)25-20(24-18)14-7-5-6-13(12-14)17(23)22-16-10-8-15(21)9-11-16/h5-12H,1-4H3,(H,22,23)
InChI Key:
SNPZVDHDRQNRNU-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)NC(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
475
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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