2-Propenoic acid, 2-(acetylamino)-3-(3-bromophenyl)-, (2Z)-
Basic information
- CAS
186803-03-2- Standard SMILES
CC(=O)NC(=Cc1cccc(Br)c1)C(=O)O- InChIKey
HSTHWJSAQFEPOJ-UHFFFAOYSA-N- Molecular formula
- C11H10BrNO3
- Average molar mass
- 284.11 g/mol
- Monoisotopic mass
- 282.98441
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-(acetylamino)-3-(3-bromophenyl)-, (2Z)-
- IUPAC
- 2-acetamido-3-(3-bromophenyl)prop-2-enoic acid
Names & synonyms
224186-20-32-Propenoic acid, 2-(acetylamino)-3-(3-bromophenyl)-, (2Z)-186803-03-22-acetamido-3-(3-bromophenyl)prop-2-enoic Acid2-(Acetylamino)-3-(3-bromophenyl)-2-propenoic acidSCHEMBL41976010DTXSID70354002H597962-Propenoic acid, 2-(acetylamino)-3-(3-bromophenyl)-
Database identifiers
- CAS
186803-03-2、224186-20-3- PubChem CID
- 761439
- DTXSID
DTXSID70354002
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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