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Home > Boronic Acids > 957034-47-8
957034-47-8 | N,N-Dimethylformamide tris((3-cyano-5-nitrophenyl);boronate);
CAS No: 957034-47-8 Catalog No: AG003SL4 MDL No:MFCD09258663
Product Description
Catalog Number:
AG003SL4
Chemical Name:
N,N-Dimethylformamide tris((3-cyano-5-nitrophenyl);boronate);
CAS Number:
957034-47-8
Molecular Formula:
C24H22B3N7O13
Molecular Weight:
648.9036
MDL Number:
MFCD09258663
IUPAC Name:
(3-cyano-5-nitrophenyl)boronic acid;N,N-dimethylformamide
InChI:
InChI=1S/3C7H5BN2O4.C3H7NO/c3*9-4-5-1-6(8(11)12)3-7(2-5)10(13)14;1-4(2)3-5/h3*1-3,11-12H;3H,1-2H3
InChI Key:
XCIUDARACIUFPR-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1)[N+](=O)[O-])B(O)O.N#Cc1cc(cc(c1)[N+](=O)[O-])B(O)O.N#Cc1cc(cc(c1)[N+](=O)[O-])B(O)O.O=CN(C)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
649.155g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
648.906g/mol
Monoisotopic Mass:
649.155g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
351A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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