Basic information
- CAS
107485-65-4- Standard SMILES
NC(=O)c1c(Br)cccc1[N+](=O)[O-]- InChIKey
ZKDRYFJBCUTOHR-UHFFFAOYSA-N- Molecular formula
- C7H5BrN2O3
- Average molar mass
- 245.03 g/mol
- Monoisotopic mass
- 243.94835
Names & identifiers
- Preferred name
- 2-Bromo-6-nitrobenzamide
- IUPAC
- 2-bromo-6-nitrobenzamide
- English name
- 2-Bromo-6-nitrobenzamide
- Molecular formula
- C7H5BrN2O3
- Molecular weight
- 245.03
Names & synonyms
2-bromo-6-nitrobenzamide107485-65-4Benzamide, 2-bromo-6-nitro-DTXSID90148061
Database identifiers
- CAS
107485-65-4- PubChem CID
- 86280
- DTXSID
DTXSID90148061- Nikkaji
- J1.555.858J
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 315.5 · 315.5±27.0 °C(Predicted)
- Density
- 1.799 · 1.799±0.06 g/cm3(Predicted)
- pka
- 14.45 · 14.45±0.50(Predicted)
Chemistry & industry
Suppliers1 total
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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