2,3,4,5-Tetrabromo-6-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
Basic information
- CAS
5222-05-9- Standard SMILES
O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)Nc1cccc(C(F)(F)F)c1- InChIKey
WELACKAMDHXUPD-UHFFFAOYSA-N- Molecular formula
- C15H6Br4F3NO3
- Average molar mass
- 624.8 g/mol
- Monoisotopic mass
- 620.70333
Names & identifiers
- Preferred name
- 2,3,4,5-Tetrabromo-6-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
- IUPAC
- 2,3,4,5-tetrabromo-6-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
Names & synonyms
5222-05-92,3,4,5-tetrabromo-6-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid2,3,4,5-tetrabromo-6-({[3-(trifluoromethyl)phenyl]amino}carbonyl)benzoic acid2,3,4,5-Tetrabromo-6-{[3-(trifluoromethyl)phenyl]carbamoyl}benzoic acidNSC213681SCHEMBL12190078DTXSID60309703WELACKAMDHXUPD-UHFFFAOYSA-NAKOS024431935NSC-2136812,3,4,5-tetrabromo-6-{[3-(trifluoromethyl)anilino]carbonyl}benzoic acid
Database identifiers
- CAS
5222-05-9- PubChem CID
- 310205
- DTXSID
DTXSID60309703
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 551
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Related reactions
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Compound notes
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