Basic information
- CAS
349442-99-5- Standard SMILES
Cc1cc(NC(=O)CCBr)no1- InChIKey
UEIYCKANAJVWSC-UHFFFAOYSA-N- Molecular formula
- C7H9BrN2O2
- Average molar mass
- 233.06 g/mol
- Monoisotopic mass
- 231.98474
Names & identifiers
- Preferred name
- 3-Bromo-N-(5-methylisoxazol-3-yl)propanamide
- IUPAC
- 3-bromo-N-(5-methyl-1,2-oxazol-3-yl)propanamide
- English name
- 3-BROMO-N-(5-METHYLISOXAZOL-3-YL)PROPANAMIDE
- Molecular formula
- C7H9BrN2O2
- Molecular weight
- 233.06
Names & synonyms
3-Bromo-N-(5-methylisoxazol-3-yl)propanamide349442-99-5MFCD017636133-bromo-N-(5-methyl-1,2-oxazol-3-yl)propanamideSCHEMBL4858124SBB098043BUTTPARK 145\16-28Propanamide, 3-bromo-N-(5-methyl-3-isoxazolyl)-3-Bromo-N-(5-methyl-1,2-oxazol-3-yl)propanamide, 3-[(3-Bromopropanoyl)amino]-5-methyl-1,2-oxazole
Database identifiers
- CAS
349442-99-5- PubChem CID
- 2777064
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 408 · 408.0±35.0 °C(Predicted)
- Density
- 1.612 · 1.612±0.06 g/cm3(Predicted)
- pka
- 12.4 · 12.40±0.70(Predicted)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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