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Home > Nitro Compounds > 20133-55-5
20133-55-5 | 1,3,2-Dioxaphosphorinane, 5-methyl-5-nitro-2-(2-phenylethoxy)-, 2-oxide
CAS No: 20133-55-5 Catalog No: AG002DBN MDL No:
Product Description
Catalog Number:
AG002DBN
Chemical Name:
1,3,2-Dioxaphosphorinane, 5-methyl-5-nitro-2-(2-phenylethoxy)-, 2-oxide
CAS Number:
20133-55-5
Molecular Formula:
C12H16NO6P
Molecular Weight:
301.2323
IUPAC Name:
5-methyl-5-nitro-2-(2-phenylethoxy)-1,3,2λ5-dioxaphosphinane 2-oxide
InChI:
InChI=1S/C12H16NO6P/c1-12(13(14)15)9-18-20(16,19-10-12)17-8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChI Key:
UDJBUOHLAHTZIS-UHFFFAOYSA-N
SMILES:
CC1(COP(=O)(OC1)OCCc1ccccc1)[N+](=O)[O-]
NSC Number:
105522
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.072g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.235g/mol
Monoisotopic Mass:
301.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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