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24722-19-8 | Phosphonium, [(3-cyanophenyl)methyl]triphenyl-, bromide (1:1)
CAS No: 24722-19-8 Catalog No: AG002P8E MDL No:
Product Description
Catalog Number:
AG002P8E
Chemical Name:
Phosphonium, [(3-cyanophenyl)methyl]triphenyl-, bromide (1:1)
CAS Number:
24722-19-8
Molecular Formula:
C26H21BrNP
Molecular Weight:
458.3294
IUPAC Name:
(3-cyanophenyl)methyl-triphenylphosphanium
InChI:
InChI=1S/C26H21NP/c27-20-22-11-10-12-23(19-22)21-28(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-19H,21H2/q+1
InChI Key:
ULNCTZJZNJCVFN-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.141g/mol
Formal Charge:
1
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.435g/mol
Monoisotopic Mass:
378.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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