Basic information
- CAS
72670-64-5- Standard SMILES
COc1cc(N=C=S)ccc1NC(=O)c1cc(Br)cc(Br)c1O- InChIKey
HCHXQKDTUULTMR-UHFFFAOYSA-N- Molecular formula
- C15H10Br2N2O3S
- Average molar mass
- 458.1 g/mol
- Monoisotopic mass
- 455.87789
Names & identifiers
- Preferred name
- 3,5-dibromo-2-hydroxy-N-(4-isothiocyanato-2-methoxyphenyl)benzamide
- IUPAC
- 3,5-dibromo-2-hydroxy-N-(4-isothiocyanato-2-methoxyphenyl)benzamide
Names & synonyms
72670-64-5NSC2930623,5-dibromo-2-hydroxy-N-(4-isothiocyanato-2-methoxyphenyl)benzamideDTXSID80315200NSC-293062
Database identifiers
- CAS
72670-64-5- PubChem CID
- 325136
- DTXSID
DTXSID80315200
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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