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Home > Boronic Acids > 1218789-37-7
1218789-37-7 | Acetamide, 2,2,2-trifluoro-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]-
CAS No: 1218789-37-7 Catalog No: AG00166G MDL No:
Product Description
Catalog Number:
AG00166G
Chemical Name:
Acetamide, 2,2,2-trifluoro-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyrimidinyl]-
CAS Number:
1218789-37-7
Molecular Formula:
C12H15BF3N3O3
Molecular Weight:
317.0720
IUPAC Name:
2,2,2-trifluoro-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]acetamide
InChI:
InChI=1S/C12H15BF3N3O3/c1-10(2)11(3,4)22-13(21-10)7-5-17-9(18-6-7)19-8(20)12(14,15)16/h5-6H,1-4H3,(H,17,18,19,20)
InChI Key:
UWWLIVCPXPFZCP-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)Nc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.075g/mol
Monoisotopic Mass:
317.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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