Basic information
- CAS
23959-32-2- Standard SMILES
C=CCOc1c(I)cc(C(=O)NNC(C)C)cc1I.Cl- InChIKey
DKHOVPOUQOJFIY-UHFFFAOYSA-N- Molecular formula
- C13H17ClI2N2O2
- Average molar mass
- 522.55 g/mol
- Monoisotopic mass
- 521.9068
Names & identifiers
- Preferred name
- Benzoic acid, 4-(allyloxy)-3,5-diiodo-, 2-isopropylhydrazide, monohydrochloride
- IUPAC
- 3,5-diiodo-N'-propan-2-yl-4-prop-2-enoxybenzohydrazide;hydrochloride
Names & synonyms
4-(Allyloxy)-3,5-diiodobenzoic acid 2-isopropylhydrazide monohydrochloride23959-32-2Benzoic acid, 4-(allyloxy)-3,5-diiodo-, 2-isopropylhydrazide, monohydrochlorideRefChem:327468DTXSID709467893,5-Diiodo-N-(propan-2-yl)-4-[(prop-2-en-1-yl)oxy]benzene-1-carbohydrazonic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
23959-32-2- PubChem CID
- 212151
- DTXSID
DTXSID70946789
Properties
Computed structural properties
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…