2-(4-Chloroanilino)benzoic acid
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Basic information
- CAS
13278-35-8- Standard SMILES
O=C(O)c1ccccc1Nc1ccc(Cl)cc1- InChIKey
YZTPXKMADXYVOJ-UHFFFAOYSA-N- Molecular formula
- C13H10ClNO2
- Average molar mass
- 247.67 g/mol
- Monoisotopic mass
- 247.0400063
Names & identifiers
- Preferred name
- 2-(4-Chloroanilino)benzoic acid
- IUPAC
- 2-(4-chloroanilino)benzoic acid
- English name
- N-(4-CHLOROPHENYL)ANTHRANILIC ACID
- Molecular formula
- C13H10ClNO2
- Molecular weight
- 247.68
Names & synonyms
13278-35-82-(4-Chloroanilino)benzoic acid2-((4-Chlorophenyl)amino)benzoic acid2-[(4-chlorophenyl)amino]benzoic acidBenzoic acid,2-[(4-chlorophenyl)amino]-N-(4-CHLOROPHENYL)ANTHRANILIC ACIDBenzoic acid, 2-[(4-chlorophenyl)amino]-CHEMBL2043303Oprea1_668058SCHEMBL4246580DTXSID60332632YZTPXKMADXYVOJ-UHFFFAOYSA-N
Show more names
2-[(4-Chlorophenyl)amino]benzoic acid (ACI)
N-(p-Chlorophenyl)anthranilic acidALBB-0372852-(4-Chloroanilino)benzoic acid #n-(4-chlorophenyl)-anthranilic acidBDBM50385716MFCD01788120AKOS0002778514'-Chlorodiphenylamine-2-carboxylic acid
Database identifiers
- CAS
13278-35-8- PubChem CID
- 459316
- DTXSID
DTXSID60332632- ChEMBL
CHEMBL2043303- Nikkaji
- J469.246B
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Experimental & physicochemical properties
LogP4.24
Physicochemical properties
- Melting point
- 177 · 177-178 °C
- Boiling point
- 407.5 · 407.5±30.0 °C(Predicted)
- Density
- 1.376 · 1.376±0.06 g/cm3(Predicted)
- pka
- 3.66 · 3.66±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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