3-Bromo-2-methoxybenzamide
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Basic information
- CAS
791136-88-4- Standard SMILES
COc1c(Br)cccc1C(N)=O- InChIKey
OTBLXJXQCXWEFG-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO2
- Average molar mass
- 230.06 g/mol
Names & identifiers
- Preferred name
- 3-Bromo-2-methoxybenzamide
- IUPAC
- 3-bromo-2-methoxybenzamide
- English name
- 3-Bromo-2-methoxybenzamide
- Molecular formula
- C8H8BrNO2
- Molecular weight
- 230.06
Names & synonyms
3-Bromo-2-methoxybenzamide791136-88-4MFCD183918703-bromo-2-methoxy-benzamideSCHEMBL257298Benzamide, 3-bromo-2-methoxy-SCHEMBL29874691AKOS022178409AS-58743DA-24051SY362057CS-0119842
Show more names
C76534F363836A1-12182
Database identifiers
- CAS
791136-88-4
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 105 · 105-106 °C(Solv: ethanol (64-17-5))
- Boiling point
- 297.6 · 297.6±30.0 °C(Predicted)
- Density
- 1.551 · 1.551±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.97 · 14.97±0.50(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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