Basic information
- CAS
5325-35-9- Standard SMILES
O=C(O)/C(=C\c1cc(Br)c(O)c(Br)c1)c1ccc(I)cc1- InChIKey
CLNCJLKAPBDQQR-WZUFQYTHSA-N- Molecular formula
- C15H9Br2IO3
- Average molar mass
- 523.94 g/mol
- Monoisotopic mass
- 521.79632
Names & identifiers
- Preferred name
- 3-(3,5-Dibromo-4-hydroxyphenyl)-2-(P-iodophenyl)-acrylic acid
- IUPAC
- (Z)-3-(3,5-dibromo-4-hydroxyphenyl)-2-(4-iodophenyl)prop-2-enoic acid
Names & synonyms
3-(3,5-DIBROMO-4-HYDROXYPHENYL)-2-(P-IODOPHENYL)-ACRYLIC ACID5325-35-9NSC155NSC-155
Database identifiers
- CAS
5325-35-9- PubChem CID
- 5936620
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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