Basic information
- CAS
14192-14-4- Standard SMILES
COC(=O)c1cccc(I)c1I- InChIKey
QVTAJAIILHYNRS-UHFFFAOYSA-N- Molecular formula
- C8H6I2O2
- Average molar mass
- 387.94 g/mol
- Monoisotopic mass
- 387.84572
Names & identifiers
- Preferred name
- Benzoic acid, 2,3-diiodo-, methyl ester
- IUPAC
- methyl 2,3-diiodobenzoate
Names & synonyms
14192-14-4Benzoic acid, 2,3-diiodo-, methyl esterRefChem:326536methyl 2,3-diiodobenzoateDTXSID301277619DB-220960
Database identifiers
- CAS
14192-14-4- PubChem CID
- 85645014
- DTXSID
DTXSID301277619
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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