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84083-13-6 | 5-Chloro-4-(cyclohexylmethylamino)-2-(trifluoromethyl)benzenediazonium tetrafluoroborate
CAS No: 84083-13-6 Catalog No: AG004PXK MDL No:
Product Description
Catalog Number:
AG004PXK
Chemical Name:
5-Chloro-4-(cyclohexylmethylamino)-2-(trifluoromethyl)benzenediazonium tetrafluoroborate
CAS Number:
84083-13-6
Molecular Formula:
C14H16BClF7N3
Molecular Weight:
405.5498
IUPAC Name:
5-chloro-4-[cyclohexyl(methyl)amino]-2-(trifluoromethyl)benzenediazonium;tetrafluoroborate
InChI:
InChI=1S/C14H16ClF3N3.BF4/c1-21(9-5-3-2-4-6-9)13-7-10(14(16,17)18)12(20-19)8-11(13)15;2-1(3,4)5/h7-9H,2-6H2,1H3;/q+1;-1
InChI Key:
QSHAYFAXQWSTJU-UHFFFAOYSA-N
SMILES:
FC(c1cc(NCC2CCCCC2)c(cc1[N+]#N)Cl)(F)F.F[B-](F)(F)F
EC Number:
282-062-0
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.101g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.552g/mol
Monoisotopic Mass:
405.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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