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126383-45-7 | Acetic acid, 2-chloro-2-[(dipropoxyphosphinyl)thio]-, ethyl ester
CAS No: 126383-45-7 Catalog No: AG000SPR MDL No:
Product Description
Catalog Number:
AG000SPR
Chemical Name:
Acetic acid, 2-chloro-2-[(dipropoxyphosphinyl)thio]-, ethyl ester
CAS Number:
126383-45-7
Molecular Formula:
C10H20ClO5PS
Molecular Weight:
318.7546
IUPAC Name:
ethyl 2-chloro-2-dipropoxyphosphorylsulfanylacetate
InChI:
InChI=1S/C10H20ClO5PS/c1-4-7-15-17(13,16-8-5-2)18-9(11)10(12)14-6-3/h9H,4-8H2,1-3H3
InChI Key:
HCBGUHWBQGZBBC-UHFFFAOYSA-N
SMILES:
CCCOP(=O)(SC(C(=O)OCC)Cl)OCCC
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.749g/mol
Monoisotopic Mass:
318.046g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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