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15898-47-2 | Phosphonium, (cyanomethyl)triphenyl-, bromide (1:1)
CAS No: 15898-47-2 Catalog No: AG001R2N MDL No:MFCD00031671
Product Description
Catalog Number:
AG001R2N
Chemical Name:
Phosphonium, (cyanomethyl)triphenyl-, bromide (1:1)
CAS Number:
15898-47-2
Molecular Formula:
C20H17BrNP
Molecular Weight:
382.2334
MDL Number:
MFCD00031671
IUPAC Name:
cyanomethyl(triphenyl)phosphanium;bromide
InChI:
InChI=1S/C20H17NP.BrH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,17H2;1H/q+1;/p-1
InChI Key:
QBGFELJINDMTMH-UHFFFAOYSA-M
SMILES:
N#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.028g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.241g/mol
Monoisotopic Mass:
381.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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