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84196-03-2 | 2-Chloro-5-(4-chlorophenoxy)-4-diethylaminobenzenediazonium hexafluorophosphate
CAS No: 84196-03-2 Catalog No: AG004P3N MDL No:
Product Description
Catalog Number:
AG004P3N
Chemical Name:
2-Chloro-5-(4-chlorophenoxy)-4-diethylaminobenzenediazonium hexafluorophosphate
CAS Number:
84196-03-2
Molecular Formula:
C16H16Cl2F6N3OP
Molecular Weight:
482.1879
IUPAC Name:
2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium;hexafluorophosphate
InChI:
InChI=1S/C16H16Cl2N3O.F6P/c1-3-21(4-2)15-9-13(18)14(20-19)10-16(15)22-12-7-5-11(17)6-8-12;1-7(2,3,4,5)6/h5-10H,3-4H2,1-2H3;/q+1;-1
InChI Key:
YRCDBRIHHATXJH-UHFFFAOYSA-N
SMILES:
F[P-](F)(F)(F)(F)F.CCN(c1cc(Cl)c(cc1Oc1ccc(cc1)Cl)[N+]#N)CC
EC Number:
282-411-7
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.031g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
482.188g/mol
Monoisotopic Mass:
481.031g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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