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140141-42-0 | Phosphonium, tributyl[(4-cyanophenyl)methyl]-, bromide (1:1)
CAS No: 140141-42-0 Catalog No: AG001C2T MDL No:
Product Description
Catalog Number:
AG001C2T
Chemical Name:
Phosphonium, tributyl[(4-cyanophenyl)methyl]-, bromide (1:1)
CAS Number:
140141-42-0
Molecular Formula:
C20H33BrNP
Molecular Weight:
398.3605
IUPAC Name:
tributyl-[(4-cyanophenyl)methyl]phosphanium;bromide
InChI:
InChI=1S/C20H33NP.BrH/c1-4-7-14-22(15-8-5-2,16-9-6-3)18-20-12-10-19(17-21)11-13-20;/h10-13H,4-9,14-16,18H2,1-3H3;1H/q+1;/p-1
InChI Key:
WZJXHMOAONNTER-UHFFFAOYSA-M
SMILES:
CCCC[P+](Cc1ccc(cc1)C#N)(CCCC)CCCC.[Br-]
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.369g/mol
Monoisotopic Mass:
397.153g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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