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16491-69-3 | Phosphonium, (3-oxo-1-buten-1-yl)triphenyl-, bromide (1:1)
CAS No: 16491-69-3 Catalog No: AG001V5B MDL No:
Product Description
Catalog Number:
AG001V5B
Chemical Name:
Phosphonium, (3-oxo-1-buten-1-yl)triphenyl-, bromide (1:1)
CAS Number:
16491-69-3
Molecular Formula:
C22H20BrOP
Molecular Weight:
411.2714
IUPAC Name:
3-oxobut-1-enyl(triphenyl)phosphanium;bromide
InChI:
InChI=1S/C22H20OP.BrH/c1-19(23)17-18-24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22;/h2-18H,1H3;1H/q+1;/p-1
InChI Key:
MODRBGJVQSUOOY-UHFFFAOYSA-M
SMILES:
CC(=O)C=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.044g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.279g/mol
Monoisotopic Mass:
410.044g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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