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155506-17-5 | Phosphonic acid, P-[2-(3-bromophenyl)-2-oxoethyl]-, diethyl ester
CAS No: 155506-17-5 Catalog No: AG001NZF MDL No:
Product Description
Catalog Number:
AG001NZF
Chemical Name:
Phosphonic acid, P-[2-(3-bromophenyl)-2-oxoethyl]-, diethyl ester
CAS Number:
155506-17-5
Molecular Formula:
C12H16BrO4P
Molecular Weight:
335.1308
IUPAC Name:
1-(3-bromophenyl)-2-diethoxyphosphorylethanone
InChI:
InChI=1S/C12H16BrO4P/c1-3-16-18(15,17-4-2)9-12(14)10-6-5-7-11(13)8-10/h5-8H,3-4,9H2,1-2H3
InChI Key:
AMGCLKYVDMACGH-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CC(=O)c1cccc(c1)Br)OCC
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.997g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.134g/mol
Monoisotopic Mass:
333.997g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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