2,3-Dimethylphenyl 3-iodo-4-methylbenzoate
Basic information
- CAS
817568-45-9- Standard SMILES
Cc1ccc(C(=O)Oc2cccc(C)c2C)cc1I- InChIKey
WTPWZGVIIGXZQD-UHFFFAOYSA-N- Molecular formula
- C16H15IO2
- Average molar mass
- 366.19 g/mol
- Monoisotopic mass
- 366.01168
Names & identifiers
- Preferred name
- 2,3-Dimethylphenyl 3-iodo-4-methylbenzoate
- IUPAC
- (2,3-dimethylphenyl) 3-iodo-4-methylbenzoate
- English name
- 2,3-dimethylphenyl 3-iodo-4-methylbenzoate
- Molecular formula
- C16H15IO2
- Molecular weight
- 366.19357
Names & synonyms
2,3-dimethylphenyl 3-iodo-4-methylbenzoateSTL064184AKOS000498966NCGC00326140-01ST45046084AB01320455-02817568-45-9
Database identifiers
- CAS
817568-45-9- PubChem CID
- 2235693
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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