2-Bromo-6-[[[2-(3-bromo-4-methoxyphenyl)-5-benzoxazolyl]imino]methyl]-4-chlorophenol
Basic information
- CAS
331646-77-6- Standard SMILES
COc1ccc(-c2nc3cc(N=Cc4cc(Cl)cc(Br)c4O)ccc3o2)cc1Br- InChIKey
FHUACVOACCUYTN-UHFFFAOYSA-N- Molecular formula
- C21H13Br2ClN2O3
- Average molar mass
- 536.6 g/mol
- Monoisotopic mass
- 533.89815
Names & identifiers
- Preferred name
- 2-Bromo-6-[[[2-(3-bromo-4-methoxyphenyl)-5-benzoxazolyl]imino]methyl]-4-chlorophenol
- IUPAC
- 2-bromo-6-[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-chlorophenol
Names & synonyms
Oprea1_183441Oprea1_628679DTXSID801128918AKOS0005143662-Bromo-6-[[[2-(3-bromo-4-methoxyphenyl)-5-benzoxazolyl]imino]methyl]-4-chlorophenol331646-77-6ST507461012-BROMO-6-({[2-(3-BROMO-4-METHOXYPHENYL)-1,3-BENZOXAZOL-5-YL]IMINO}METHYL)-4-CHLOROPHENOL2-bromo-6-[(E)-{[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4-chlorophenol
Database identifiers
- CAS
331646-77-6- PubChem CID
- 3095385
- DTXSID
DTXSID801128918
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 586
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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