Basic information
- CAS
5274-94-2- Standard SMILES
CC(=O)Nc1cccc(N=Cc2cc(Br)ccc2O)c1- InChIKey
NTLJDWYQRYMNSQ-UHFFFAOYSA-N- Molecular formula
- C15H13BrN2O2
- Average molar mass
- 333.18 g/mol
- Monoisotopic mass
- 332.01604
Names & identifiers
- Preferred name
- N-(3-{[(E)-(3-Bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}phenyl)acetamide
- IUPAC
- N-[3-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]acetamide
Names & synonyms
5274-94-2AC1NSBIKDTXSID80416266HMS1580I01SR-01000202885SR-01000202885-1N-(3-{[(E)-(3-Bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino}phenyl)acetamide
Database identifiers
- CAS
5274-94-2- PubChem CID
- 786124
- DTXSID
DTXSID80416266
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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