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84604-32-0 | 3-Chloro-4-(hexahydro-1H-azepin-1-yl)benzenediazonium hexafluorophosphate
CAS No: 84604-32-0 Catalog No: AG004QAA MDL No:
Product Description
Catalog Number:
AG004QAA
Chemical Name:
3-Chloro-4-(hexahydro-1H-azepin-1-yl)benzenediazonium hexafluorophosphate
CAS Number:
84604-32-0
Molecular Formula:
C12H15ClF6N3P
Molecular Weight:
381.6848
IUPAC Name:
4-(azepan-1-yl)-3-chlorobenzenediazonium;hexafluorophosphate
InChI:
InChI=1S/C12H15ClN3.F6P/c13-11-9-10(15-14)5-6-12(11)16-7-3-1-2-4-8-16;1-7(2,3,4,5)6/h5-6,9H,1-4,7-8H2;/q+1;-1
InChI Key:
MCLFXNMQLQYWFW-UHFFFAOYSA-N
SMILES:
F[P-](F)(F)(F)(F)F.N#[N+]c1ccc(c(c1)Cl)N1CCCCCC1
EC Number:
283-311-6
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.06g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.687g/mol
Monoisotopic Mass:
381.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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