Ethyl 3-bromo-4-(methylamino)-5-nitrobenzoate
Basic information
- CAS
1423037-47-1- Standard SMILES
CCOC(=O)c1cc(Br)c(NC)c([N+](=O)[O-])c1- InChIKey
HTPHPPQKSWJOOS-UHFFFAOYSA-N- Molecular formula
- C10H11BrN2O4
- Average molar mass
- 303.11 g/mol
- Monoisotopic mass
- 301.99022
Names & identifiers
- Preferred name
- Ethyl 3-bromo-4-(methylamino)-5-nitrobenzoate
- IUPAC
- ethyl 3-bromo-4-(methylamino)-5-nitrobenzoate
- English name
- Ethyl 3-broMo-4-(MethylaMino)-5-nitrobenzoate
- Molecular formula
- C10H11BrN2O4
- Molecular weight
- 303.11
Names & synonyms
ETHYL 3-BROMO-4-(METHYLAMINO)-5-NITROBENZOATE1423037-47-1DTXSID001187948MFCD23135968SB82699BS-27238ethyl 3-bromo-4-(methylamino)-5-nitro-benzoateETHYL3-BROMO-4-(METHYLAMINO)-5-NITROBENZOATEBenzoic acid, 3-bromo-4-(methylamino)-5-nitro-, ethyl ester
Database identifiers
- CAS
1423037-47-1- PubChem CID
- 74889501
- DTXSID
DTXSID001187948
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 402.1 · 402.1±45.0 °C(Predicted)
- Density
- 1.584 · 1.584±0.06 g/cm3(Predicted)
- pka
- -4.39 · -4.39±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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