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Home > Boronic Acids > 736989-95-0
736989-95-0 | N-Cyclohexyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CAS No: 736989-95-0 Catalog No: AG01DX8M MDL No:
Product Description
Catalog Number:
AG01DX8M
Chemical Name:
N-Cyclohexyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CAS Number:
736989-95-0
Molecular Formula:
C19H27BFNO3
Molecular Weight:
347.2320
IUPAC Name:
N-cyclohexyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C19H27BFNO3/c1-18(2)19(3,4)25-20(24-18)13-10-11-15(16(21)12-13)17(23)22-14-8-6-5-7-9-14/h10-12,14H,5-9H2,1-4H3,(H,22,23)
InChI Key:
WANRXUOKTLHYOK-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1F)B1OC(C(O1)(C)C)(C)C)NC1CCCCC1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.207g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.237g/mol
Monoisotopic Mass:
347.207g/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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