Basic information
- CAS
7504-36-1- Standard SMILES
Cc1ccc(C(C(=O)O)C(Cl)(Cl)Cl)cc1- InChIKey
LSVNTHGUMBEXII-UHFFFAOYSA-N- Molecular formula
- C10H9Cl3O2
- Average molar mass
- 267.5 g/mol
- Monoisotopic mass
- 265.966813
Names & identifiers
- Preferred name
- 3,3,3-Trichloro-2-(4-methylphenyl)propanoic acid
- IUPAC
- 3,3,3-trichloro-2-(4-methylphenyl)propanoic acid
Names & synonyms
7504-36-13,3,3-trichloro-2-(4-methylphenyl)propanoic acidNSC407542DTXSID50324687NSC-407542
Database identifiers
- CAS
7504-36-1- PubChem CID
- 348283
- DTXSID
DTXSID50324687
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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