Methyl 3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate
Basic information
- CAS
362608-36-4- Standard SMILES
COC(=O)C(C#N)=Cc1cc(Br)ccc1OC- InChIKey
SQBOJHPNDXHIIP-UHFFFAOYSA-N- Molecular formula
- C12H10BrNO3
- Average molar mass
- 296.12 g/mol
- Monoisotopic mass
- 294.98441
Names & identifiers
- Preferred name
- Methyl 3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate
- IUPAC
- methyl 3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoate
Names & synonyms
AC1MEEUKmethyl 3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoateDTXSID40386153
Database identifiers
- CAS
362608-36-4- PubChem CID
- 2854075
- DTXSID
DTXSID40386153
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 358
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Compound notes
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