[2-Nitro-4-(3-nitro-phenoxy)-phenyl]-acetic acid ethyl ester

HCID 59804301
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Basic information

CAS
887399-48-6
Standard SMILES
CCOC(=O)Cc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-]
InChIKey
JKXQZOCYJMRLIX-UHFFFAOYSA-N
Molecular formula
C16H14N2O7
Average molar mass
346.29 g/mol
Monoisotopic mass
346.08010079

Names & identifiers

Preferred name
[2-Nitro-4-(3-nitro-phenoxy)-phenyl]-acetic acid ethyl ester
IUPAC
ethyl 2-[2-nitro-4-(3-nitrophenoxy)phenyl]acetate

Names & synonyms

SCHEMBL396228JKXQZOCYJMRLIX-UHFFFAOYSA-NDTXSID101246705[2-Nitro-4-(3-nitro-phenoxy)-phenyl]-acetic acid ethyl ester887399-48-6Ethyl 2-nitro-4-(3-nitrophenoxy)benzeneacetateEthyl [2-nitro-4-(3-nitrophenoxy)phenyl]acetate

Database identifiers

CAS
887399-48-6
PubChem CID
59804301
DTXSID
DTXSID101246705

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
127 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
25

Related reactions

3 records
New reaction record

Compound notes

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