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87981-36-0 | 1,4,2-Dioxaphosphorinane, 2-(2-chloroethoxy)-3,3,5-trimethyl-, 2-oxide
CAS No: 87981-36-0 Catalog No: AG004OUD MDL No:
Product Description
Catalog Number:
AG004OUD
Chemical Name:
1,4,2-Dioxaphosphorinane, 2-(2-chloroethoxy)-3,3,5-trimethyl-, 2-oxide
CAS Number:
87981-36-0
Molecular Formula:
C8H16ClO4P
Molecular Weight:
242.6370
IUPAC Name:
2-(2-chloroethoxy)-3,3,5-trimethyl-1,4,2λ5-dioxaphosphinane 2-oxide
InChI:
InChI=1S/C8H16ClO4P/c1-7-6-12-14(10,11-5-4-9)8(2,3)13-7/h7H,4-6H2,1-3H3
InChI Key:
YERHPHXZAGVJFD-UHFFFAOYSA-N
SMILES:
ClCCOP1(=O)OCC(OC1(C)C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.636g/mol
Monoisotopic Mass:
242.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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