Basic information
- Standard SMILES
Cc1cc(C2CCC2)c(I)cc1C(=O)O- InChIKey
BTUPXDMENCUMLM-UHFFFAOYSA-N- Molecular formula
- C12H13IO2
- Average molar mass
- 316.13 g/mol
- Monoisotopic mass
- 315.99603
Names & identifiers
- Preferred name
- 4-Cyclobutyl-5-iodo-2-methylbenzoic acid
- IUPAC
- 4-cyclobutyl-5-iodo-2-methylbenzoic acid
Names & synonyms
4-cyclobutyl-5-iodo-2-methylbenzoic acid1399182-95-6SCHEMBL12488784BTUPXDMENCUMLM-UHFFFAOYSA-NDB-195715CS-0113931
Database identifiers
- PubChem CID
- 68288671
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Related reactions
5 records
Compound notes
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