Basic information
- Standard SMILES
CCCNc1ccc([N+](=O)[O-])cc1-c1nc2cc(Br)ccc2o1- InChIKey
AMBCLGRLHXONNQ-UHFFFAOYSA-N- Molecular formula
- C16H14BrN3O3
- Average molar mass
- 376.2 g/mol
Names & identifiers
- Preferred name
- 2-(5-bromo-1,3-benzoxazol-2-yl)-4-nitro-N-propylaniline
- IUPAC
- 2-(5-bromo-1,3-benzoxazol-2-yl)-4-nitro-N-propylaniline
Names & synonyms
2-(5-bromo-1,3-benzoxazol-2-yl)-4-nitro-N-propylanilineSCHEMBL5834491AMBCLGRLHXONNQ-UHFFFAOYSA-NSTK784638AKOS005620571ST4126890ST453506322-(3-Nitro-6-propylaminophenyl)-5-bromobenzoxazole[2-(5-bromobenzoxazol-2-yl)-4-nitrophenyl]propylamine
Database identifiers
- PubChem CID
- 5303802
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 420
Related reactions
9 records
Compound notes
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