Basic information
- CAS
663934-18-7- Standard SMILES
O=C(O)c1cc(I)cc2c1OC(F)(F)O2- InChIKey
IPSLQTAYIULVGD-UHFFFAOYSA-N- Molecular formula
- C8H3F2IO4
- Average molar mass
- 328.01 g/mol
- Monoisotopic mass
- 327.90441
Names & identifiers
- Preferred name
- 2,2-Difluoro-6-iodo-1,3-benzodioxole-4-carboxylic acid
- IUPAC
- 2,2-difluoro-6-iodo-1,3-benzodioxole-4-carboxylic acid
Names & synonyms
2,2-difluoro-6-iodo-1,3-benzodioxole-4-carboxylic acidSCHEMBL21569646SCHEMBL29560061IPSLQTAYIULVGD-UHFFFAOYSA-NDTXSID901211863663934-18-72,2-Difluoro-6-iodo-2H-1,3-benzodioxole-4-carboxylic acid
Database identifiers
- CAS
663934-18-7- PubChem CID
- 11255907
- DTXSID
DTXSID901211863
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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