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PyBroP

CAT: 0926-FB15669-03Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FB15669-03Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
132705-51-2
Synonyms
Bromotripyrrolidinophosphonium hexafluorophosphate
MDL Number
MFCD00077412
Smiles
C1CCN (C1) [P+] (N2CCCC2) (N3CCCC3) Br.F[P-] (F) (F) (F) (F) F
Molecular Formula
C12H24BrF6N3P2
Molecular Weight
466.18 g/mol
Controlled
No

Chemical Information

PyBroP

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CAS Number132705-51-2
PubChem CID2733179
IUPAC Namebromo(tripyrrolidin-1-yl)phosphanium hexafluorophosphate
Molecular FormulaC12H24BrF6N3P2
Molecular Weight466.18
Topological Polar Surface Area9.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity280
SMILES
C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)Br.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C12H24BrN3P.F6P/c13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;1-7(2,3,4,5)6/h1-12H2;/q+1;-1
InChIKey
CYKRMWNZYOIJCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PyBroP
CAS: 132705-51-2
CID: 2733179
Formula: C12H24BrF6N3P2
MW: 466.18
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.18
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass465.05330
Monoisotopic Mass465.05330
Topological Polar Surface Area9.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity280
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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