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88057-23-2 | Phosphonium, (cyanomethoxymethyl)triphenyl-, bromide
CAS No: 88057-23-2 Catalog No: AG004IHF MDL No:
Product Description
Catalog Number:
AG004IHF
Chemical Name:
Phosphonium, (cyanomethoxymethyl)triphenyl-, bromide
CAS Number:
88057-23-2
Molecular Formula:
C21H19BrNOP
Molecular Weight:
412.2594
IUPAC Name:
cyanomethoxymethyl(triphenyl)phosphanium;bromide
InChI:
InChI=1S/C21H19NOP.BrH/c22-16-17-23-18-24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15H,17-18H2;1H/q+1;/p-1
InChI Key:
OOLGMZZBNWJQBO-UHFFFAOYSA-M
SMILES:
N#CCOC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.039g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.267g/mol
Monoisotopic Mass:
411.039g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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