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128252-97-1 | Acetic acid, 2,2-dibromo-2-(dimethoxyphosphinyl)-, methyl ester
CAS No: 128252-97-1 Catalog No: AG000XWL MDL No:
Product Description
Catalog Number:
AG000XWL
Chemical Name:
Acetic acid, 2,2-dibromo-2-(dimethoxyphosphinyl)-, methyl ester
CAS Number:
128252-97-1
Molecular Formula:
C5H9Br2O5P
Molecular Weight:
339.9037
IUPAC Name:
methyl 2,2-dibromo-2-dimethoxyphosphorylacetate
InChI:
InChI=1S/C5H9Br2O5P/c1-10-4(8)5(6,7)13(9,11-2)12-3/h1-3H3
InChI Key:
LQLGUSOMICLEFO-UHFFFAOYSA-N
SMILES:
COC(=O)C(P(=O)(OC)OC)(Br)Br
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.853g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.904g/mol
Monoisotopic Mass:
337.855g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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