Basic information
- CAS
18354-25-1- Standard SMILES
Cc1cc(Cl)c(C)c(C(=O)O)c1C- InChIKey
JRLXGVKKZQHJAX-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
- Monoisotopic mass
- 198.0447573
Overview
antidote in organophosphate intoxication; RN given refers to parent cpd
Names & identifiers
- Preferred name
- 3-Chloro-2,5,6-trimethylbenzoate
- IUPAC
- 3-chloro-2,5,6-trimethylbenzoic acid
- English name
- 3-Chloro-2,5,6-trimethylbenzoic acid
- Molecular weight
- 0
Names & synonyms
18354-25-13-Chloro-2,5,6-trimethylbenzoateDTXSID50171431CTMBRefChem:93378DTXCID00939223-Chloro-2,5,6-trimethylbenzoic acidU 23223BRN 2446642BENZOIC ACID, 3-CHLORO-2,5,6-TRIMETHYL-SCHEMBL10939441U-23223
Database identifiers
- CAS
18354-25-1- PubChem CID
- 29037
- DTXSID
DTXSID50171431- Nikkaji
- J17.855A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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