4-(4-(4-Bromo-phenoxy)-5-methyl-1H-pyrazol-3-YL)-2-methyl-benzene-1,3-diol
Basic information
- CAS
311809-80-0- Standard SMILES
Cc1[nH]nc(-c2ccc(O)c(C)c2O)c1Oc1ccc(Br)cc1- InChIKey
MLOOWGXDHOBTDJ-UHFFFAOYSA-N- Molecular formula
- C17H15BrN2O3
- Average molar mass
- 375.2 g/mol
- Monoisotopic mass
- 374.0266
Names & identifiers
- Preferred name
- 4-(4-(4-Bromo-phenoxy)-5-methyl-1H-pyrazol-3-YL)-2-methyl-benzene-1,3-diol
- IUPAC
- 4-[4-(4-bromophenoxy)-5-methyl-1H-pyrazol-3-yl]-2-methylbenzene-1,3-diol
Names & synonyms
AKOS0243262214-(4-(4-BROMO-PHENOXY)-5-METHYL-1H-PYRAZOL-3-YL)-2-METHYL-BENZENE-1,3-DIOL
Database identifiers
- CAS
311809-80-0- PubChem CID
- 983231
- EC Number
- 158-928-8
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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