2-[5-(4-Bromophenyl)-1H-pyrazol-3-YL]phenol
Basic information
- CAS
416877-45-7- Standard SMILES
Oc1ccccc1-c1cc(-c2ccc(Br)cc2)n[nH]1- InChIKey
JKSLJMHPVLYRES-UHFFFAOYSA-N- Molecular formula
- C15H11BrN2O
- Average molar mass
- 315.16 g/mol
- Monoisotopic mass
- 314.00548
Names & identifiers
- Preferred name
- 2-[5-(4-Bromophenyl)-1H-pyrazol-3-YL]phenol
- IUPAC
- 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]phenol
- English name
- CHEMBRDG-BB 5472112
- Molecular formula
- C15H11BrN2O
- Molecular weight
- 315.16
Names & synonyms
416877-45-72-(5-(4-Bromophenyl)-1H-pyrazol-3-yl)phenol2-[5-(4-BROMOPHENYL)-1H-PYRAZOL-3-YL]PHENOLMFCD205029782-[3-(4-bromophenyl)-1H-pyrazol-5-yl]phenol2-(3-(4-Bromophenyl)-1H-pyrazol-5-yl)phenolZINC00265089Cambridge id 5472112DTXSID20425231AKOS022184369BS-36644DB-202718
Show more names
CHEMBRDG-BB 5472112Phenol, 2-[5-(4-bromophenyl)-1H-pyrazol-3-yl]-2-[5-(4-bromophenyl)-1H-pyrazol-3-yl]phenol(SALTDATA: FREE)
F3141366-[5-(4-Bromophenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
416877-45-7- PubChem CID
- 775987
- DTXSID
DTXSID20425231
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Boiling point
- 516.1 · 516.1±40.0 °C(Predicted)
- Density
- 1.528 · 1.528±0.06 g/cm3(Predicted)
- pka
- 8.92 · 8.92±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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