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5-methyl-2,2-diphenyl-2,3,4,5-tetrahydro-1H-2-benzophosphepinium hexafluorophosphate

HCID 498145
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Basic information

CAS
54230-00-1
Standard SMILES
CC1CC[P+](c2ccccc2)(c2ccccc2)Cc2ccccc21.F[P-](F)(F)(F)(F)F
InChIKey
OFFOMXKDDFPLDP-UHFFFAOYSA-N
Molecular formula
C23H24F6P2
Average molar mass
476.4 g/mol
Monoisotopic mass
476.12574373

Names & identifiers

Preferred name
5-methyl-2,2-diphenyl-2,3,4,5-tetrahydro-1H-2-benzophosphepinium hexafluorophosphate
IUPAC
5-methyl-2,2-diphenyl-1,3,4,5-tetrahydro-2-benzophosphepin-2-ium hexafluorophosphate

Names & synonyms

NSC24539054230-00-1NSC 2453905-methyl-2,2-diphenyl-2,3,4,5-tetrahydro-1H-2-benzophosphepinium hexafluorophosphateNSC-2453905-methyl-2,2-diphenyl-1,3,4,5-tetrahydro-2-benzophosphepin-2-ium hexafluorophosphate

Database identifiers

CAS
54230-00-1
PubChem CID
498145

Properties

Computed structural properties

Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
31
Formal charge
0
Complexity
436

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