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76352-13-1 | 4-(diethylamino)benzenediazonium hexafluorophosphate
CAS No: 76352-13-1 Catalog No: AG0055KR MDL No:
Product Description
Catalog Number:
AG0055KR
Chemical Name:
4-(diethylamino)benzenediazonium hexafluorophosphate
CAS Number:
76352-13-1
Molecular Formula:
C10H14F6N3P
Molecular Weight:
321.2024
IUPAC Name:
N-[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2,3-dimethoxybenzamide
InChI:
InChI=1S/C23H28N2O3/c1-27-21-10-6-9-20(22(21)28-2)23(26)24-17-13-18-11-12-19(14-17)25(18)15-16-7-4-3-5-8-16/h3-10,17-19H,11-15H2,1-2H3,(H,24,26)/t17?,18-,19+
InChI Key:
PCIWCYUKRZFCMF-YQQQUEKLSA-N
SMILES:
F[P-](F)(F)(F)(F)F.CCN(c1ccc(cc1)[N+]#N)CC
UNII:
5ZFB9Y7BH0
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
380.21g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.488g/mol
Monoisotopic Mass:
380.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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