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50543-78-7 | 2,5-Dibutoxy-4-(4-morpholinyl)benzenediazonium tetrafluoroborate
CAS No: 50543-78-7 Catalog No: AG003FWY MDL No:MFCD00134254
Product Description
Catalog Number:
AG003FWY
Chemical Name:
2,5-Dibutoxy-4-(4-morpholinyl)benzenediazonium tetrafluoroborate
CAS Number:
50543-78-7
Molecular Formula:
C18H28N3O3+
Molecular Weight:
334.4332
MDL Number:
MFCD00134254
IUPAC Name:
2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium;tetrafluoroborate
InChI:
InChI=1S/C18H28N3O3.BF4/c1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;2-1(3,4)5/h13-14H,3-12H2,1-2H3;/q+1;-1
InChI Key:
KTLYRPBETGHXQC-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(N2CCOCC2)c(cc1[N+]#N)OCCCC
EC Number:
256-623-5
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.216g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.244g/mol
Monoisotopic Mass:
421.216g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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