Basic information
- CAS
69868-17-3- Standard SMILES
Cc1nccn1C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O- InChIKey
WHFCBWCUSWCPQU-UHFFFAOYSA-N- Molecular formula
- C12H6Cl4N2O3
- Average molar mass
- 368 g/mol
- Monoisotopic mass
- 365.913253
Names & identifiers
- Preferred name
- 2,3,4,5-Tetrachloro-6-[(2-methyl-1H-imidazol-1-yl)carbonyl]benzoic acid
- IUPAC
- 2,3,4,5-tetrachloro-6-(2-methylimidazole-1-carbonyl)benzoic acid
- English name
- 2,3,4,5-tetrachloro-6-[(2-methyl-1H-imidazol-1-yl)carbonyl]benzoic acid
- Molecular formula
- C12H6Cl4N2O3
- Molecular weight
- 368
Names & synonyms
47YU7WI5D62,3,4,5-tetrachloro-6-[(2-methyl-1h-imidazol-1-yl)carbonyl]benzoic acidEINECS 274-176-4UNII-47YU7WI5D6Benzoic acid, 2,3,4,5-tetrachloro-6-[(2-methyl-1H-imidazol-1-yl)carbonyl]-Tetrachlorophthalic acid, monoamide with 2-methylimidazoleDTXSID6072009Benzoic acid, 2,3,4,5-tetrachloro-6-((2-methyl-1H-imidazol-1-yl)carbonyl)-2,3,4,5-Tetrachloro-6-((2-methyl-1H-imidazol-1-yl)carbonyl)benzoic acid2,3,4,5-Tetrachloro-6-((2-methyl-1H-imidazol-1-yl)carbonyl)benzoicacidRefChem:81238DTXCID3046586
Show more names
274-176-469868-17-3WHFCBWCUSWCPQU-UHFFFAOYSA-N2,3,4,5-Tetrachloro-6-(2-methyl-1H-imidazole-1-carbonyl)benzoic acidNS00036975
Database identifiers
- CAS
69868-17-3
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- FDA UNII
- 47 YU7WI5D6 · 47YU7WI5D6
- EPA Substance Registry System
- 2 · Benzoic acid, 2,3,4,5-tetrachloro-6-[(2-methyl-1H-imidazol-1-yl)carbonyl]- (69868-17-3)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2,3,4,5-tetrachloro-6-[(2-methyl-1H-imidazol-1-yl)carbonyl]-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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