Basic information
- CAS
6177-55-5- Standard SMILES
COc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Br)cc3n2)cc1- InChIKey
BGVLHGNJWLVHFH-UHFFFAOYSA-N- Molecular formula
- C21H16BrN5O4
- Average molar mass
- 482.3 g/mol
- Monoisotopic mass
- 481.03857
Names & identifiers
- Preferred name
- 2-bromo-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-5-nitrobenzamide
- IUPAC
- 2-bromo-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-5-nitrobenzamide
Names & synonyms
2-bromo-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-5-nitrobenzamide2-bromo-N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-5-nitrobenzamide6177-55-5Oprea1_582175DTXSID20387426MFCD02218457AKOS001486798EU-0040768AB00103651-01SR-01000456201SR-01000456201-12-bromo-N-[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]-5-nitrobenzamide
Database identifiers
- CAS
6177-55-5- PubChem CID
- 2889520
- DTXSID
DTXSID20387426
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 656
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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