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Home > Boronic Acids > 1007882-12-3
1007882-12-3 | 1-Pyrrolidinecarboxylic acid, 2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]-, 1,1-dimethylethyl ester, (2S)-
CAS No: 1007882-12-3 Catalog No: AG0002VL MDL No:MFCD20527700
Product Description
Catalog Number:
AG0002VL
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
1007882-12-3
Molecular Formula:
C24H34BN3O4
Molecular Weight:
439.3555
MDL Number:
MFCD20527700
IUPAC Name:
tert-butyl (2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C24H34BN3O4/c1-22(2,3)30-21(29)28-14-8-9-19(28)20-26-15-18(27-20)16-10-12-17(13-11-16)25-31-23(4,5)24(6,7)32-25/h10-13,15,19H,8-9,14H2,1-7H3,(H,26,27)/t19-/m0/s1
InChI Key:
UFFNRFDGLUNWDL-IBGZPJMESA-N
SMILES:
O=C(N1CCC[C@H]1c1ncc([nH]1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
671
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
439.264g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
439.363g/mol
Monoisotopic Mass:
439.264g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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