Methyl 2-nitro-5-(2,4,6-trichlorophenoxy)benzoate

HCID 443063
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Basic information

Standard SMILES
COC(=O)c1cc(Oc2c(Cl)cc(Cl)cc2Cl)ccc1[N+](=O)[O-]
InChIKey
KZPZKNHAIWLBJQ-UHFFFAOYSA-N
Molecular formula
C14H8Cl3NO5
Average molar mass
376.6 g/mol

Overview

MC-3761 is a nitrobenzoic acid.

Names & identifiers

Preferred name
Methyl 2-nitro-5-(2,4,6-trichlorophenoxy)benzoate
IUPAC
methyl 2-nitro-5-(2,4,6-trichlorophenoxy)benzoate

Names & synonyms

MC-3761methyl 2-nitro-5-(2,4,6-trichlorophenoxy)benzoateCHEBI:6612SCHEMBL10786872KZPZKNHAIWLBJQ-UHFFFAOYSA-Nmethyl 5-(2,4,6-trichlorophenoxy)-2-nitrobenzoateQ27107269Methyl 2-nitro-5-(2',4',6'-trichlorophenoxy)benzoate

Database identifiers

PubChem CID
443063
ChEBI
CHEBI:6612
Nikkaji
J2.788.474A

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
81.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
23

Related reactions

16 records
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Compound notes

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