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Home > Boronic Acids > 864754-08-5
864754-08-5 | Acetamide,2,2,2-trifluoro-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS No: 864754-08-5 Catalog No: AG004MQ8 MDL No:
Product Description
Catalog Number:
AG004MQ8
Chemical Name:
Acetamide,2,2,2-trifluoro-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS Number:
864754-08-5
Molecular Formula:
C14H17BF3NO3
Molecular Weight:
315.0959
IUPAC Name:
2,2,2-trifluoro-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
InChI:
InChI=1S/C14H17BF3NO3/c1-12(2)13(3,4)22-15(21-12)9-5-7-10(8-6-9)19-11(20)14(16,17)18/h5-8H,1-4H3,(H,19,20)
InChI Key:
HGZQPOXNGFTPNQ-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.125g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.099g/mol
Monoisotopic Mass:
315.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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