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26104-68-7 | Phosphonium, [(4-cyanophenyl)methyl]triphenyl-, bromide (1:1)
CAS No: 26104-68-7 Catalog No: AG002ROZ MDL No:MFCD01763819
Product Description
Catalog Number:
AG002ROZ
Chemical Name:
Phosphonium, [(4-cyanophenyl)methyl]triphenyl-, bromide (1:1)
CAS Number:
26104-68-7
Molecular Formula:
C26H21BrNP
Molecular Weight:
458.3294
MDL Number:
MFCD01763819
IUPAC Name:
(4-cyanophenyl)methyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C26H21NP.BrH/c27-20-22-16-18-23(19-17-22)21-28(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26;/h1-19H,21H2;1H/q+1;/p-1
InChI Key:
WPYOTRVXXHYEJK-UHFFFAOYSA-M
SMILES:
N#Cc1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.059g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.339g/mol
Monoisotopic Mass:
457.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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