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88750-68-9 | Phosphonic dichloride, [(3-chloro-1,4-dioxan-2-ylidene)methyl]-
CAS No: 88750-68-9 Catalog No: AG004DCS MDL No:
Product Description
Catalog Number:
AG004DCS
Chemical Name:
Phosphonic dichloride, [(3-chloro-1,4-dioxan-2-ylidene)methyl]-
CAS Number:
88750-68-9
Molecular Formula:
C5H6Cl3O3P
Molecular Weight:
251.4321
IUPAC Name:
2-chloro-3-(dichlorophosphorylmethylidene)-1,4-dioxane
InChI:
InChI=1S/C5H6Cl3O3P/c6-5-4(3-12(7,8)9)10-1-2-11-5/h3,5H,1-2H2
InChI Key:
RULFIBINYIAUEE-UHFFFAOYSA-N
SMILES:
ClC1OCCOC1=CP(=O)(Cl)Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.912g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.424g/mol
Monoisotopic Mass:
249.912g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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