1-(Dimethoxymethyl)-3-iodobenzene
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Basic information
- CAS
99405-04-6- Standard SMILES
COC(OC)c1cccc(I)c1- InChIKey
JYFNSJPMDOMOHV-UHFFFAOYSA-N- Molecular formula
- C9H11IO2
- Average molar mass
- 278.09 g/mol
- Monoisotopic mass
- 277.98038
Names & identifiers
- Preferred name
- 1-(Dimethoxymethyl)-3-iodobenzene
- IUPAC
- 1-(dimethoxymethyl)-3-iodobenzene
- English name
- 3-IODOBENZALDEHYDE DIMETHYL ACETAL
- Molecular formula
- C9H11IO2
- Molecular weight
- 278.09
Names & synonyms
3-IODOBENZALDEHYDE DIMETHYL ACETAL99405-04-61-(Dimethoxymethyl)-3-iodobenzeneSCHEMBL8906237DTXSID00544656m-iodobenzaldehyde dimethyl acetalBenzene, 1-(dimethoxymethyl)-3-iodo-
Database identifiers
- CAS
99405-04-6- PubChem CID
- 13596603
- DTXSID
DTXSID00544656- EC Number
- 619-432-1
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 251.4 · 251.4±30.0 °C(Predicted)
- Density
- 1.595 · 1.595±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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