Basic information
- CAS
6943-54-0- Standard SMILES
CC(=O)OC(C)(C)N=Nc1ccc(Br)cc1- InChIKey
DZWBCPXUHPHPJR-UHFFFAOYSA-N- Molecular formula
- C11H13BrN2O2
- Average molar mass
- 285.14 g/mol
- Monoisotopic mass
- 284.01604
Names & identifiers
- Preferred name
- 2-[(4-Bromophenyl)diazenyl]propan-2-yl acetate
- IUPAC
- 2-[(4-bromophenyl)diazenyl]propan-2-yl acetate
Names & synonyms
NSC534546943-54-0NSC-534542-[(4-bromophenyl)diazenyl]propan-2-yl acetateNCIStruc1_000468NCIStruc2_0006272-[(e)-(4-bromophenyl)diazenyl]propan-2-yl acetateCHEMBL1362501CHEMBL1977859DTXSID20287932CCG-37671NCGC00013659
Show more names
NCGC00013659-02NCGC00096771-01NCI60_0043151-((4-bromophenyl)diazenyl)-1-methylethyl acetate
Database identifiers
- CAS
6943-54-0- PubChem CID
- 243545
- DTXSID
DTXSID20287932- ChEMBL
CHEMBL1362501、CHEMBL1977859
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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