3-Bromo-4-methoxy-benzamidine
Basic information
- CAS
687985-65-5- Standard SMILES
COc1ccc(C(=N)N)cc1Br- InChIKey
WEXWXKAEPIJEHC-UHFFFAOYSA-N- Molecular formula
- C8H9BrN2O
- Average molar mass
- 229.07 g/mol
- Monoisotopic mass
- 227.98983
Names & identifiers
- Preferred name
- 3-Bromo-4-methoxy-benzamidine
- IUPAC
- 3-bromo-4-methoxybenzenecarboximidamide
- English name
- 3-Bromo-4-methoxy-benzamidine
- Molecular formula
- C8H9BrN2O
- Molecular weight
- 229.07
Names & synonyms
687985-65-53-BROMO-4-METHOXY-BENZAMIDINE3-Bromo-4-methoxybenzimidamide3-bromo-4-methoxybenzene-1-carboximidamide3-bromo-4-methoxybenzenecarboximidamideDTXSID80408126AKOS010266739SB38328CS-0454940EN300-1898329Benzenecarboximidamide, 3-bromo-4-methoxy-
Database identifiers
- CAS
687985-65-5- PubChem CID
- 5080130
- DTXSID
DTXSID80408126
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 308.8 · 308.8±52.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 11 · 11+-.0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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