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138000-14-3 | Acetic acid, 2-bromo-2-[(diethoxyphosphinyl)thio]-, ethyl ester
CAS No: 138000-14-3 Catalog No: AG0017U2 MDL No:
Product Description
Catalog Number:
AG0017U2
Chemical Name:
Acetic acid, 2-bromo-2-[(diethoxyphosphinyl)thio]-, ethyl ester
CAS Number:
138000-14-3
Molecular Formula:
C8H16BrO5PS
Molecular Weight:
335.1524
IUPAC Name:
ethyl 2-bromo-2-diethoxyphosphorylsulfanylacetate
InChI:
InChI=1S/C8H16BrO5PS/c1-4-12-8(10)7(9)16-15(11,13-5-2)14-6-3/h7H,4-6H2,1-3H3
InChI Key:
PVYKBPISKHZWPW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(SP(=O)(OCC)OCC)Br
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.964g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.149g/mol
Monoisotopic Mass:
333.964g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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