2-[(5-Chloro-2-methylphenyl)carbamoyl]benzoic acid
Basic information
- CAS
19368-32-2- Standard SMILES
Cc1ccc(Cl)cc1NC(=O)c1ccccc1C(=O)O- InChIKey
FOVBBNXBGNXICC-UHFFFAOYSA-N- Molecular formula
- C15H12ClNO3
- Average molar mass
- 289.71 g/mol
- Monoisotopic mass
- 289.0505709
Overview
See also: N-(5-Chloro-2-methylphenyl)phthalamic acid (annotation moved to).
Names & identifiers
- Preferred name
- 2-[(5-Chloro-2-methylphenyl)carbamoyl]benzoic acid
- IUPAC
- 2-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
- English name
- N-(5-Chloro-2-methylphenyl)phthalamic acid
- Molecular formula
- C15H12ClNO3
- Molecular weight
- 289.71
Names & synonyms
19368-32-22-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid2-[(5-chloro-2-methylanilino)carbonyl]benzoic acid2-((5-Chloro-2-methylphenyl)carbamoyl)benzoic acidNSC164314Oprea1_241411Oprea1_487406DTXSID40304135AKOS002286604NSC-164314ST50808342AP-263/43219437
Show more names
N-(5-Chloro-2-methylphenyl)phthalamic acidBenzoic acid, 2-[[(5-chloro-2-methylphenyl)amino]carbonyl]-
2-[N-(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
Database identifiers
- CAS
19368-32-2- PubChem CID
- 295157
- DTXSID
DTXSID40304135
Properties
Computed structural properties
- XLogP
- 3
- 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
- 374
Physicochemical properties
- Boiling point
- 392.4 · 392.4±42.0 °C(Predicted)
- Density
- 1.385 · 1.385±0.06 g/cm3(Predicted)
- pka
- 3.43 · 3.43±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H400
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
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,GHS09
- Hazard statements
- H302-H319-H400
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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