Ethyl 2-(4-methylphenyl)-3-nitropropyl(diethoxymethyl)phosphinate

HCID 14362829
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Basic information

Standard SMILES
CCOC(OCC)P(=O)(CC(C[N+](=O)[O-])c1ccc(C)cc1)OCC
InChIKey
DAANBDMIQBSZAW-UHFFFAOYSA-N
Molecular formula
C17H28NO6P
Average molar mass
373.4 g/mol

Names & identifiers

Preferred name
Ethyl 2-(4-methylphenyl)-3-nitropropyl(diethoxymethyl)phosphinate
IUPAC
1-[1-[diethoxymethyl(ethoxy)phosphoryl]-3-nitropropan-2-yl]-4-methylbenzene

Names & synonyms

SCHEMBL9141945DAANBDMIQBSZAW-UHFFFAOYSA-Nethyl 2-(4-methylphenyl)-3-nitropropyl(diethoxymethyl)phosphinateethyl 2-(4-methylphenyl)-3-nitropropyl-(diethoxymethyl)phosphinate

Database identifiers

PubChem CID
14362829

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
90.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
25

Related reactions

13 records
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Compound notes

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