Basic information
- CAS
1138442-38-2- Standard SMILES
C=C(C)COc1cccc(NC(=O)CBr)c1- InChIKey
CKRLSWZRFQECQP-UHFFFAOYSA-N- Molecular formula
- C12H14BrNO2
- Average molar mass
- 284.15 g/mol
- Monoisotopic mass
- 283.02079
Names & identifiers
- Preferred name
- 2-Bromo-N-{3-[(2-methyl-2-propenyl)oxy]-phenyl}acetamide
- IUPAC
- 2-bromo-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
- English name
- 2-Bromo-N-{3-[(2-methyl-2-propenyl)oxy]-phenyl}acetamide
- Molecular formula
- C12H14BrNO2
- Molecular weight
- 284.15
Names & synonyms
2-BROMO-N-{3-[(2-METHYL-2-PROPENYL)OXY]-PHENYL}ACETAMIDE1138442-38-22-bromo-N-{3-[(2-methylprop-2-en-1-yl)oxy]phenyl}acetamide2-bromo-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide9105ACDTXSID001191103AKOS0053485162-Bromo-N-[3-[(2-methyl-2-propen-1-yl)oxy]phenyl]acetamideAcetamide, 2-bromo-N-[3-[(2-methyl-2-propen-1-yl)oxy]phenyl]-
Database identifiers
- CAS
1138442-38-2- PubChem CID
- 46736633
- DTXSID
DTXSID001191103
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Boiling point
- 422.7 · 422.7±35.0 °C(Predicted)
- Density
- 1.392 · 1.392±0.06 g/cm3(Predicted)
- pka
- 12.06 · 12.06±0.70(Predicted)
- 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
Suppliers3 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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