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2,4,4,6,8,8-hexachloro-2-N,6-N-diphenyl-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene-2,6-diamine

HCID 246240
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Basic information

CAS
77804-36-5
Standard SMILES
ClP1(Cl)=NP(Cl)(Nc2ccccc2)=NP(Cl)(Cl)=NP(Cl)(Nc2ccccc2)=N1
InChIKey
SNCVCTUPJFVCQU-UHFFFAOYSA-N
Molecular formula
C12H12Cl6N6P4
Average molar mass
576.9 g/mol
Monoisotopic mass
573.820509

Names & identifiers

Preferred name
2,4,4,6,8,8-hexachloro-2-N,6-N-diphenyl-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene-2,6-diamine
IUPAC
2,4,4,6,8,8-hexachloro-2-N,6-N-diphenyl-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,6-diamine

Names & synonyms

77804-36-5NSC58916DTXSID00999021NSC-589162,4,4,6,8,8-Hexachloro-N,N'-diphenyl-2I>>5,4I>>5,6I>>5,8I>>5-[1,3,5,7,2,4,6,8]tetrazatetraphosphocine-2,6-diamine2,4,4,6,8,8-Hexachloro-N~2~,N~6~-diphenyl-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetrazatetraphosphocine-2,6-diamine

Database identifiers

CAS
77804-36-5
PubChem CID
246240
DTXSID
DTXSID00999021

Properties

Computed structural properties

XLogP
9.2
Topological polar surface area
73.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Formal charge
0
Complexity
687

Experimental & physicochemical properties

SpringerMaterials Properties31P nuclear magnetic resonance spectrum

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