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21088-61-9 | Phosphonium, tris(hydroxymethyl)(2-oxo-2-phenylethyl)-, bromide (1:1)
CAS No: 21088-61-9 Catalog No: AG002L0M MDL No:
Product Description
Catalog Number:
AG002L0M
Chemical Name:
Phosphonium, tris(hydroxymethyl)(2-oxo-2-phenylethyl)-, bromide (1:1)
CAS Number:
21088-61-9
Molecular Formula:
C11H16BrO4P
Molecular Weight:
323.1201
IUPAC Name:
tris(hydroxymethyl)-phenacylphosphanium;bromide
InChI:
InChI=1S/C11H16O4P.BrH/c12-7-16(8-13,9-14)6-11(15)10-4-2-1-3-5-10;/h1-5,12-14H,6-9H2;1H/q+1;/p-1
InChI Key:
BZNNZAJUCRQZEJ-UHFFFAOYSA-M
SMILES:
OC[P+](CC(=O)c1ccccc1)(CO)CO.[Br-]
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.997g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
323.123g/mol
Monoisotopic Mass:
321.997g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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