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Home > Boronic Acids > 1247001-44-0
1247001-44-0 | Morpholine, 2,6-dimethyl-4-[[4-[(1E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methyl]-, (2R,6S)-rel-
CAS No: 1247001-44-0 Catalog No: AG000MNH MDL No:MFCD29037431
Product Description
Catalog Number:
AG000MNH
Chemical Name:
Morpholine, 2,6-dimethyl-4-[[4-[(1E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methyl]-, (2R,6S)-rel-
CAS Number:
1247001-44-0
Molecular Formula:
C21H32BNO3
Molecular Weight:
357.2947
MDL Number:
MFCD29037431
IUPAC Name:
(2S,6R)-2,6-dimethyl-4-[[4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methyl]morpholine
InChI:
InChI=1S/C21H32BNO3/c1-16-13-23(14-17(2)24-16)15-19-9-7-18(8-10-19)11-12-22-25-20(3,4)21(5,6)26-22/h7-12,16-17H,13-15H2,1-6H3/b12-11+/t16-,17+
InChI Key:
DDBGHPZIERQRNE-PPVVZDBHSA-N
SMILES:
C[C@@H]1CN(C[C@@H](O1)C)Cc1ccc(cc1)/C=C/B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
357.248g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.301g/mol
Monoisotopic Mass:
357.248g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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