Arthrotec

HCID 3032CAS 15307-79-6

Substructure search Find similar structures

Basic information

Standard SMILES: O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIKey: DCOPUUMXTXDBNB-UHFFFAOYSA-M
Molecular formula: C14H10Cl2NO2-
Average molar mass: 295.1 g/mol
Monoisotopic mass: 294.0088589

Names & identifiers

Preferred name: Arthrotec
IUPAC: 2-[2-(2,6-dichloroanilino)phenyl]acetate

Names & synonyms

ArthrotecRefChem:916257239810-53-82-[2-(2,6-dichloroanilino)phenyl]acetatediclofenac(1-){2-[(2,6-dichlorophenyl)amino]phenyl}acetateOrthophen86522-08-9CHEBI:48311DTXSID201189538BDBM50174201NSC755403

Show more names

STK177318AKOS000305881NSC-755403[2-(2,6-dichloroanilino)phenyl]acetateNCGC00021336-03NCGC00021336-04NCGC00021336-05NCGC00021336-09

Database identifiers

CAS: 15307-79-6、86522-08-9
PubChem CID: 3032
DTXSID: DTXSID201189538
ChEBI: CHEBI:48311
Nikkaji: J1.539.129D

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 52.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: -1
Complexity: 298

Related reactions

20 records

New reaction record

HRID 93667As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 96787As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 136958As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 143311As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 150772As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 155048As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 188080As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 207327As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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