N-(3,5-Dichlorophenyl)-2-(ethoxycarbonyl)-1-hydroxycyclohexa-2,4-diene-1-carboximidic acid

HCID 217295

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Basic information

CAS: 38507-87-8
Standard SMILES: CCOC(=O)C1=CC=CCC1(O)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIKey: IARICXOFTCUCMC-UHFFFAOYSA-N
Molecular formula: C16H15Cl2NO4
Average molar mass: 356.2 g/mol
Monoisotopic mass: 355.0378133

Names & identifiers

Preferred name: N-(3,5-Dichlorophenyl)-2-(ethoxycarbonyl)-1-hydroxycyclohexa-2,4-diene-1-carboximidic acid
IUPAC: ethyl 6-[(3,5-dichlorophenyl)carbamoyl]-6-hydroxycyclohexa-1,3-diene-1-carboxylate

Names & synonyms

38507-87-8DTXSID20959369N-(3,5-Dichlorophenyl)-2-(ethoxycarbonyl)-1-hydroxycyclohexa-2,4-diene-1-carboximidic acidRefChem:1091121DTXCID601387249BRN 3067754Ethyl 2-(((3,5-dichlorophenyl)amino)carbonyl)-2-hydroxybenzoateBenzoic acid, 2-(((3,5-dichlorophenyl)amino)carbonyl)-2-hydroxy-, ethyl ester

Database identifiers

CAS: 38507-87-8
PubChem CID: 217295
DTXSID: DTXSID20959369

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 524

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