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85099-30-5 | 4-(Benzoylamino)-2,5-dibutoxybenzenediazonium tetrafluoroborate
CAS No: 85099-30-5 Catalog No: AG004XK2 MDL No:
Product Description
Catalog Number:
AG004XK2
Chemical Name:
4-(Benzoylamino)-2,5-dibutoxybenzenediazonium tetrafluoroborate
CAS Number:
85099-30-5
Molecular Formula:
C21H26BF4N3O3
Molecular Weight:
455.2541
IUPAC Name:
4-benzamido-2,5-dibutoxybenzenediazonium;tetrafluoroborate
InChI:
InChI=1S/C21H25N3O3.BF4/c1-3-5-12-26-19-15-18(24-22)20(27-13-6-4-2)14-17(19)23-21(25)16-10-8-7-9-11-16;2-1(3,4)5/h7-11,14-15H,3-6,12-13H2,1-2H3;/q;-1/p+1
InChI Key:
WYQKIWNFYBKSBJ-UHFFFAOYSA-O
SMILES:
F[B-](F)(F)F.CCCCOc1cc([N+]#N)c(cc1NC(=O)c1ccccc1)OCCCC
EC Number:
285-485-9
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.2g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
455.261g/mol
Monoisotopic Mass:
455.2g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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