2,3,4,5-Tetrabromo-6-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
Basic information
- CAS
196934-79-9- Standard SMILES
Cc1ccc(Cl)cc1NC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)O- InChIKey
TZTGZXYPDZGRKB-UHFFFAOYSA-N- Molecular formula
- C15H8Br4ClNO3
- Average molar mass
- 605.3 g/mol
- Monoisotopic mass
- 600.69262
Names & identifiers
- Preferred name
- 2,3,4,5-Tetrabromo-6-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
- IUPAC
- 2,3,4,5-tetrabromo-6-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
- English name
- 5'-Chloro-2'-methyl-3,4,5,6-tetrabromophthalanilic acid
- Molecular weight
- 605.3
Names & synonyms
NSC1422602,3,4,5-tetrabromo-6-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acidDTXSID2011425025'-CHLORO-2'-METHYL-3,4,5,6-TETRABROMOPHTHALANILIC ACIDAKOS024433909NSC-142260196934-79-92,3,4,5-Tetrabromo-6-[[(5-chloro-2-methylphenyl)amino]carbonyl]benzoic acidBenzoic acid, 2,3,4,5-tetrabromo-6-[[(5-chloro-2-methylphenyl)amino]carbonyl]-
Database identifiers
- CAS
196934-79-9- PubChem CID
- 285393
- DTXSID
DTXSID201142502
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
Physicochemical properties
- Boiling point
- 556.981 · 556.981±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 2.211 · 2.211±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.128 · 1.128±0.36(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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