Basic information
- CAS
849770-51-0- Standard SMILES
O=C1OC(c2ccccc2Br)=NC1=Cc1ccccc1- InChIKey
LJDTVODLOJLOOW-UHFFFAOYSA-N- Molecular formula
- C16H10BrNO2
- Average molar mass
- 328.16 g/mol
- Monoisotopic mass
- 326.98949
Names & identifiers
- Preferred name
- 5(4H)-Oxazolone, 2-(2-bromophenyl)-4-(phenylmethylene)-, (4Z)-
- IUPAC
- 4-benzylidene-2-(2-bromophenyl)-1,3-oxazol-5-one
Names & synonyms
4-Benzylidene-2-(2-bromophenyl)-1,3-oxazol-5(4H)-oneDTXSID103205095(4H)-Oxazolone, 2-(2-bromophenyl)-4-(phenylmethylene)-, (4Z)-NCI60_003288
Database identifiers
- CAS
849770-51-0- PubChem CID
- 338397
- DTXSID
DTXSID10320509
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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