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154959-51-0 | Phosphonium, [2-amino-2-oxo-1-(5-phenyl-1H-tetrazol-1-yl)ethyl]triphenyl-, perchlorate (1:1)
CAS No: 154959-51-0 Catalog No: AG001NHX MDL No:
Product Description
Catalog Number:
AG001NHX
Chemical Name:
Phosphonium, [2-amino-2-oxo-1-(5-phenyl-1H-tetrazol-1-yl)ethyl]triphenyl-, perchlorate (1:1)
CAS Number:
154959-51-0
Molecular Formula:
C27H23ClN5O5P
Molecular Weight:
563.9288
IUPAC Name:
[2-amino-2-oxo-1-(5-phenyltetrazol-1-yl)ethyl]-triphenylphosphanium;perchlorate
InChI:
InChI=1S/C27H22N5OP.ClHO4/c28-25(33)27(32-26(29-30-31-32)21-13-5-1-6-14-21)34(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2-1(3,4)5/h1-20,27H,(H-,28,33);(H,2,3,4,5)
InChI Key:
JNNOGOIHWYSYFT-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.NC(=O)C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)n1nnnc1c1ccccc1
Properties
Complexity:
704
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
563.113g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
563.935g/mol
Monoisotopic Mass:
563.113g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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