3-(4-Bromophenyl)-1H-pyrazol-5-ol
Basic information
- CAS
367928-57-2- Standard SMILES
O=c1cc(-c2ccc(Br)cc2)[nH][nH]1- InChIKey
NIEUMLZXCZNYEF-UHFFFAOYSA-N- Molecular formula
- C9H7BrN2O
- Average molar mass
- 239.07 g/mol
- Monoisotopic mass
- 237.97418
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-1H-pyrazol-5-ol
- IUPAC
- 5-(4-bromophenyl)-1,2-dihydropyrazol-3-one
- English name
- 3-(4-Bromophenyl)-1H-pyrazol-5-ol
- Molecular formula
- C9H7BrN2O
- Molecular weight
- 239.07
Names & synonyms
3-(4-Bromophenyl)-1H-pyrazol-5-ol367928-57-2DTXSID50340908RefChem:274400DTXCID302919895-(4-bromophenyl)-1,2-dihydropyrazol-3-oneMFCD02648137MLS0006938865-(4-Bromophenyl)-1H-pyrazol-3-olSMR000300495CHEMBL1501597SCHEMBL20583624
Show more names
5-(4-bromophenyl)-1,2-dihydro-3H-pyrazol-3-one3H-Pyrazol-3-one, 5-(4-bromophenyl)-1,2-dihydro-3-(4-bromophenyl)-1H-pyrazol-5-ol(SALTDATA: FREE)
SCHEMBL279447873-(4-bromophenyl)pyrazol-5-olNIEUMLZXCZNYEF-UHFFFAOYSA-NHMS2655O11Pyrazol-5-ol, 3-(4-bromophenyl)-AKOS0063423393-(4-Bromophenyl)-1H-pyrazol-5-ol #BS-37778
Database identifiers
- CAS
367928-57-2- PubChem CID
- 568445
- DTXSID
DTXSID50340908- ChEMBL
CHEMBL1501597
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Density
- 1.605 · 1.605±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.39 · 8.39±0.70(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…