4-Bromobenzaldehyde 1,3-benzoxazol-2-ylhydrazone
Basic information
- CAS
321973-97-1- Standard SMILES
Brc1ccc(/C=N/Nc2nc3ccccc3o2)cc1- InChIKey
WDXXKZQGXPUKCW-CXUHLZMHSA-N- Molecular formula
- C14H10BrN3O
- Average molar mass
- 316.15 g/mol
- Monoisotopic mass
- 315.00072
Names & identifiers
- Preferred name
- 4-Bromobenzaldehyde 1,3-benzoxazol-2-ylhydrazone
- IUPAC
- N-[(E)-(4-bromophenyl)methylideneamino]-1,3-benzoxazol-2-amine
Names & synonyms
MLS001201120SCHEMBL2488894CHEMBL3194500AKOS001570196SMR0005640754-bromobenzaldehyde 1,3-benzoxazol-2-ylhydrazoneSR-01000101851SR-01000101851-1n-benzooxazol-2-yl-n'-(4-bromo-benzylidene)-hydrazine
Database identifiers
- CAS
321973-97-1- PubChem CID
- 9688070
- ChEMBL
CHEMBL3194500- EC Number
- 163-010-5
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 318
Experimental & physicochemical properties
Solubility0.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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