5-Chloro-2-ethoxalylamino-3-nitrobenzotrifluoride

HCID 19980305

Notes Reactions

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Basic information

Standard SMILES: CCOC(=O)C(=O)Nc1c([N+](=O)[O-])cc(Cl)cc1C(F)(F)F
InChIKey: QLQPQHXECPDHQO-UHFFFAOYSA-N
Molecular formula: C11H8ClF3N2O5
Average molar mass: 340.64 g/mol

Names & identifiers

Preferred name: 5-Chloro-2-ethoxalylamino-3-nitrobenzotrifluoride
IUPAC: ethyl 2-[4-chloro-2-nitro-6-(trifluoromethyl)anilino]-2-oxoacetate

Names & synonyms

5-chloro-2-ethoxalylamino-3-nitrobenzotrifluorideSCHEMBL7327150N-ethoxalyl-4-chloro-6-nitro-2-trifluoromethylanilineN-ethoxalyl-4-chloro-6-nitro-2-trifluoromethyl-aniline

Database identifiers

PubChem CID: 19980305

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 101 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 454

Related reactions

6 records

New reaction record

HRID 96352As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 346128As productuspto-grants-1991_10

HRID 346129As reactantuspto-grants-1991_10

HRID 1113721As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1461258As productuspto-grants-1991_12

HRID 1461259As reactantuspto-grants-1991_12

Compound notes

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