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26487-95-6 | 2-Propanone, 1-bromo-1-(triphenylphosphoranylidene)-
CAS No: 26487-95-6 Catalog No: AG002TF5 MDL No:
Product Description
Catalog Number:
AG002TF5
Chemical Name:
2-Propanone, 1-bromo-1-(triphenylphosphoranylidene)-
CAS Number:
26487-95-6
Molecular Formula:
C21H18BrOP
Molecular Weight:
397.2448
IUPAC Name:
1-bromo-1-(triphenyl-λ5-phosphanylidene)propan-2-one
InChI:
InChI=1S/C21H18BrOP/c1-17(23)21(22)24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3
InChI Key:
XBBPVGNCZVUDQI-UHFFFAOYSA-N
SMILES:
BrC(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.028g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.252g/mol
Monoisotopic Mass:
396.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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