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Basic information
- Standard SMILES
COCCNc1c(OC)cc(Br)cc1[N+](=O)[O-]- InChIKey
YBSNQLUVVHSKNH-UHFFFAOYSA-N- Molecular formula
- C10H13BrN2O4
- Average molar mass
- 305.12 g/mol
Names & identifiers
- Preferred name
- (4-Bromo-2-methoxy-6-nitro-phenyl)-(2-methoxy-ethyl)-amine
- IUPAC
- 4-bromo-2-methoxy-N-(2-methoxyethyl)-6-nitroaniline
Names & synonyms
(4-bromo-2-methoxy-6-nitro-phenyl)-(2-methoxy-ethyl)-amine860466-31-5SCHEMBL2495668YBSNQLUVVHSKNH-UHFFFAOYSA-NDB-120546
Database identifiers
- PubChem CID
- 57772042
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 76.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
Related reactions
2 records
Compound notes
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