Basic information
- CAS
853344-70-4- Standard SMILES
COc1cccc(NC(=O)/C=C/c2ccc(Br)cc2)c1- InChIKey
ASMIHABOOYAZND-JXMROGBWSA-N- Molecular formula
- C16H14BrNO2
- Average molar mass
- 332.19 g/mol
- Monoisotopic mass
- 331.02079
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-N-(3-methoxyphenyl)-2-propenamide
- IUPAC
- (E)-3-(4-bromophenyl)-N-(3-methoxyphenyl)prop-2-enamide
Names & synonyms
3-(4-BROMOPHENYL)-N-(3-METHOXYPHENYL)-2-PROPENAMIDERefChem:492760853344-70-4662-580-7AKOS003866289
Database identifiers
- CAS
853344-70-4- PubChem CID
- 6070002
- EC Number
- 662-580-7
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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