Basic information
- Standard SMILES
COC(=O)c1cc(I)c(C)cc1Br- InChIKey
ZALXPDMDZZAHDP-UHFFFAOYSA-N- Molecular formula
- C9H8BrIO2
- Average molar mass
- 354.97 g/mol
Names & identifiers
- Preferred name
- Methyl 2-bromo-5-iodo-4-methylbenzoate
- IUPAC
- methyl 2-bromo-5-iodo-4-methylbenzoate
Names & synonyms
methyl 2-bromo-5-iodo-4-methylbenzoate474330-55-7MFCD30295004SCHEMBL6628346ZALXPDMDZZAHDP-UHFFFAOYSA-NAT42532methyl 2-bromo-5-iodo-4-methyl-benzoateDB-2091672-Bromo-5-iodo-4-methyl-benzoic Acid Methyl EsterA1-07991
Database identifiers
- PubChem CID
- 69844638
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Related reactions
1 records
Compound notes
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