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79637-86-8 | 4-(Benzoylamino)-2,5-dibutoxybenzenediazonium hexafluorophosphate
CAS No: 79637-86-8 Catalog No: AG005IO2 MDL No:
Product Description
Catalog Number:
AG005IO2
Chemical Name:
4-(Benzoylamino)-2,5-dibutoxybenzenediazonium hexafluorophosphate
CAS Number:
79637-86-8
Molecular Formula:
C21H26F6N3O3P
Molecular Weight:
513.4136
IUPAC Name:
4-benzamido-2,5-dibutoxybenzenediazonium;hexafluorophosphate
InChI:
InChI=1S/C21H25N3O3.F6P/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;1-7(2,3,4,5)6/h7-11,14-15H,3-6,12-13H2,1-2H3;/q;-1/p+1
InChI Key:
QEQVNLOQDUJAAE-UHFFFAOYSA-O
SMILES:
F[P-](F)(F)(F)(F)F.CCCCOc1cc([N+]#N)c(cc1NC(=O)c1ccccc1)OCCCC
EC Number:
279-201-2
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
513.162g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
513.421g/mol
Monoisotopic Mass:
513.162g/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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