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87989-72-8

87989-72-8 | 1,4,2-Dioxaphosphepane, 2-(3-chloropropoxy)-3-methyl-, 2-oxide

CAS No: 87989-72-8 Catalog No: AG004HR3 MDL No:

Product Description

Catalog Number:
AG004HR3
Chemical Name:
1,4,2-Dioxaphosphepane, 2-(3-chloropropoxy)-3-methyl-, 2-oxide
CAS Number:
87989-72-8
Molecular Formula:
C8H16ClO4P
Molecular Weight:
242.6370
IUPAC Name:
2-(3-chloropropoxy)-3-methyl-1,4,2λ5-dioxaphosphepane 2-oxide
InChI:
InChI=1S/C8H16ClO4P/c1-8-11-5-3-7-13-14(8,10)12-6-2-4-9/h8H,2-7H2,1H3
InChI Key:
OGDAJEOWSBDRBU-UHFFFAOYSA-N
SMILES:
ClCCCOP1(=O)OCCCOC1C

Properties

Complexity:
212  
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:
4  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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