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85099-27-0 | 2-Chloro-5-methoxy-4-(2-pyridylamino)benzenediazonium hexafluorophosphate
CAS No: 85099-27-0 Catalog No: AG004OJF MDL No:
Product Description
Catalog Number:
AG004OJF
Chemical Name:
2-Chloro-5-methoxy-4-(2-pyridylamino)benzenediazonium hexafluorophosphate
CAS Number:
85099-27-0
Molecular Formula:
C12H10ClF6N4OP
Molecular Weight:
406.6512
IUPAC Name:
2-chloro-5-methoxy-4-(pyridin-2-ylamino)benzenediazonium;hexafluorophosphate
InChI:
InChI=1S/C12H10ClN4O.F6P/c1-18-11-7-9(17-14)8(13)6-10(11)16-12-4-2-3-5-15-12;1-7(2,3,4,5)6/h2-7H,1H3,(H,15,16);/q+1;-1
InChI Key:
FBFVLFJYBJMVHR-UHFFFAOYSA-N
SMILES:
F[P-](F)(F)(F)(F)F.COc1cc([N+]#N)c(cc1Nc1ccccn1)Cl
EC Number:
285-482-2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.018g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
406.653g/mol
Monoisotopic Mass:
406.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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