Basic information
- CAS
19368-22-0- Standard SMILES
O=C(O)c1ccccc1C(=O)Nc1cc(Cl)ccc1Cl- InChIKey
DYKOTZPQCPXOGA-UHFFFAOYSA-N- Molecular formula
- C14H9Cl2NO3
- Average molar mass
- 310.1 g/mol
- Monoisotopic mass
- 308.9959485
Names & identifiers
- Preferred name
- 2-(((2,5-Dichlorophenyl)amino)carbonyl)benzoic acid
- IUPAC
- 2-[(2,5-dichlorophenyl)carbamoyl]benzoic acid
- English name
- 2-[(2,5-dichloroanilino)carbonyl]benzoic acid
- Molecular formula
- C14H9Cl2NO3
- Molecular weight
- 310.13
Names & synonyms
19368-22-02-[[(2,5-Dichlorophenyl)amino]carbonyl]benzoic acid2-(((2,5-Dichlorophenyl)amino)carbonyl)benzoic acidRefChem:2490302-[(2,5-dichlorophenyl)carbamoyl]benzoic acidNSC 164308NSC164308Oprea1_257605Oprea1_637668SCHEMBL7822988DTXSID40304130STL570685
Show more names
Benzoic acid, 2-[[(2,5-dichlorophenyl)amino]carbonyl]-
AKOS000748933NSC-164308ST502216102-[(2,5-dichloroanilino)carbonyl]benzoic acid2-[N-(2,5-dichlorophenyl)carbamoyl]benzoic acidAK-918/40723667SR-01000396086SR-01000396086-1
Database identifiers
- CAS
19368-22-0- PubChem CID
- 295152
- DTXSID
DTXSID40304130
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Boiling point
- 401.3 · 401.3±45.0 °C(Predicted)
- Density
- 1.514 · 1.514±0.06 g/cm3(Predicted)
- pka
- 3.4 · 3.40±0.36(Predicted)
Chemistry & industry
Suppliers2 total
OTAVA-BB[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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