Basic information
- CAS
58708-49-9- Standard SMILES
COc1c(C)cc(Br)cc1C(N)=O- InChIKey
QPNZLTGSRAEQOP-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO2
- Average molar mass
- 244.08 g/mol
- Monoisotopic mass
- 242.98949
Names & identifiers
- Preferred name
- Benzamide, 5-bromo-2-methoxy-3-methyl-
- IUPAC
- 5-bromo-2-methoxy-3-methylbenzamide
- English name
- benzamide, 5-bromo-2-methoxy-3-methyl-
- Molecular formula
- C9H10BrNO2
- Molecular weight
- 244.09
Names & synonyms
5-Bromo-2-methoxy-3-methylbenzamide58708-49-9BENZAMIDE, 5-BROMO-2-METHOXY-3-METHYL-BRN 2097981DTXSID00207411RefChem:321870DTXCID00129902ALBB-012985STK892852AKOS000299240CS-0331702AP-970/43482571
Database identifiers
- CAS
58708-49-9- PubChem CID
- 42817
- DTXSID
DTXSID00207411
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 278.9 · 278.9±40.0 °C(Predicted)
- Density
- 1.482 · 1.482±0.06 g/cm3(Predicted)
- pka
- 15.08 · 15.08±0.50(Predicted)
- EWG's Food Scores
- 1 · 1
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…