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Home > Nitro Compounds > 29281-45-6
29281-45-6 | 1,3,2-Dioxaphosphorinane, 2-(2-nitrophenoxy)-, 2-oxide
CAS No: 29281-45-6 Catalog No: AG002XY1 MDL No:
Product Description
Catalog Number:
AG002XY1
Chemical Name:
1,3,2-Dioxaphosphorinane, 2-(2-nitrophenoxy)-, 2-oxide
CAS Number:
29281-45-6
Molecular Formula:
C9H10NO6P
Molecular Weight:
259.1526
IUPAC Name:
2-(2-nitrophenoxy)-1,3,2λ5-dioxaphosphinane 2-oxide
InChI:
InChI=1S/C9H10NO6P/c11-10(12)8-4-1-2-5-9(8)16-17(13)14-6-3-7-15-17/h1-2,4-5H,3,6-7H2
InChI Key:
QGHKKUUNQJIUHE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1OP1(=O)OCCCO1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.025g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.154g/mol
Monoisotopic Mass:
259.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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