Basic information
- CAS
63887-00-3- Standard SMILES
NC(=O)c1cc(Br)ccc1OCCO- InChIKey
DKPDJFHVGNUHSL-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO3
- Average molar mass
- 260.08 g/mol
- Monoisotopic mass
- 258.98441
Names & identifiers
- Preferred name
- Benzamide, 5-bromo-2-(beta-hydroxyethoxy)-
- IUPAC
- 5-bromo-2-(2-hydroxyethoxy)benzamide
- English name
- 5-Bromo-2-(2-hydroxyethoxy)benzamide
- Molecular formula
- C9H10BrNO3
- Molecular weight
- 260.08
Names & synonyms
BRN 3276624BENZAMIDE, 5-BROMO-2-(beta-HYDROXYETHOXY)-63887-00-35-Bromo-2-(beta-hydroxyethoxy)benzamideDTXSID402134904-10-00-00220 (Beilstein Handbook Reference)RefChem:321864DTXCID401359815-bromo-2-(2-hydroxyethoxy)benzamideDB-317217Benzamide, 5-bromo-2-(2-hydroxyethoxy)-
Database identifiers
- CAS
63887-00-3- PubChem CID
- 45013
- DTXSID
DTXSID40213490- Nikkaji
- J149.040K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 389.4 · 389.4±37.0 °C(Predicted)
- Density
- 1.602 · 1.602±0.06 g/cm3(Predicted)
- pka
- 14.11 · 14.11±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…