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Bis (perfluorophenyl) bromophosphine

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CAS Number
13648-79-8
Synonyms
Bis (pentafluorophenyl) phosphinous bromide
MDL Number
MFCD09763603
Purity
=95%
Smiles
Fc1c(F)c(F)c(P(Br)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

Chemical Information

Bis(pentafluorophenyl)bromophosphine

See also: Bis pentafluorophenyl bromophosphine (annotation moved to).

CAS Number13648-79-8
PubChem CID550610
IUPAC Namebromo-bis(2,3,4,5,6-pentafluorophenyl)phosphane
Molecular FormulaC12BrF10P
Molecular Weight444.99
XLogP5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity376
SMILES
C1(=C(C(=C(C(=C1F)F)P(C2=C(C(=C(C(=C2F)F)F)F)F)Br)F)F)F
InChI
InChI=1S/C12BrF10P/c13-24(11-7(20)3(16)1(14)4(17)8(11)21)12-9(22)5(18)2(15)6(19)10(12)23
InChIKey
WDFHFZAPZSABGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bis(pentafluorophenyl)bromophosphine
CAS: 13648-79-8
CID: 550610
Formula: C12BrF10P
MW: 444.99
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight444.99
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Exact Mass443.87613
Monoisotopic Mass443.87613
Topological Polar Surface Area0 Ų
Heavy Atom Count24
Formal Charge0
Complexity376
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes