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89630-55-7 | Phosphonium, tris(cyanomethyl)(phenylmethyl)-, bromide
CAS No: 89630-55-7 Catalog No: AG003X85 MDL No:
Product Description
Catalog Number:
AG003X85
Chemical Name:
Phosphonium, tris(cyanomethyl)(phenylmethyl)-, bromide
CAS Number:
89630-55-7
Molecular Formula:
C13H13BrN3P
Molecular Weight:
322.1402
IUPAC Name:
benzyl-tris(cyanomethyl)phosphanium;bromide
InChI:
InChI=1S/C13H13N3P.BrH/c14-6-9-17(10-7-15,11-8-16)12-13-4-2-1-3-5-13;/h1-5H,9-12H2;1H/q+1;/p-1
InChI Key:
RCHKNKFMYOZAFF-UHFFFAOYSA-M
SMILES:
N#CC[P+](Cc1ccccc1)(CC#N)CC#N.[Br-]
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.003g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.146g/mol
Monoisotopic Mass:
321.003g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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