Basic information
- CAS
512809-83-5- Standard SMILES
Cn1ncc(I)c1C(=O)Oc1cccc(C=O)c1- InChIKey
SZEKLELWZHWLRY-UHFFFAOYSA-N- Molecular formula
- C12H9IN2O3
- Average molar mass
- 356.12 g/mol
- Monoisotopic mass
- 355.96579
Names & identifiers
- Preferred name
- 3-Formylphenyl 4-iodo-1-methyl-1H-pyrazole-5-carboxylate
- IUPAC
- (3-formylphenyl) 4-iodo-1-methylpyrazole-5-carboxylate
- English name
- 3-formylphenyl 4-iodo-1-methyl-1H-pyrazole-5-carboxylate
- Molecular formula
- C12H9IN2O3
- Molecular weight
- 356.11593
Names & synonyms
3-formylphenyl 4-iodo-1-methyl-1H-pyrazole-5-carboxylate512809-83-5RefChem:2795743-formylphenyl 4-iodo-1-methylpyrazole-5-carboxylate(3-formylphenyl) 4-iodo-2-methylpyrazole-3-carboxylateSCHEMBL29957020DTXSID601201368SBB020173STK301680AKOS000307694ST45061449AK-968/41170155
Database identifiers
- CAS
512809-83-5- PubChem CID
- 996972
- DTXSID
DTXSID601201368
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 326
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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