3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid
Basic information
- CAS
52679-49-9- Standard SMILES
COc1cc(Br)c(CCC(=O)O)cc1OC- InChIKey
SJTJBIRPIITRRT-UHFFFAOYSA-N- Molecular formula
- C11H13BrO4
- Average molar mass
- 289.12 g/mol
- Monoisotopic mass
- 287.99972
Names & identifiers
- Preferred name
- 3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid
- IUPAC
- 3-(2-bromo-4,5-dimethoxyphenyl)propanoic acid
- English name
- Benzenepropanoic acid, 2-bromo-4,5-dimethoxy- (9CI)
- Molecular formula
- C11H13BrO4
- Molecular weight
- 289.12
Names & synonyms
52679-49-93-(2-bromo-4,5-dimethoxyphenyl)propanoic acid3-(2-Bromo-4,5-dimethoxyphenyl)propanoicacidBenzenepropanoic acid, 2-bromo-4,5-dimethoxy- (9CI)MFCD000889732-BROMO-4,5-DIMETHOXYHYDROCINNAMIC ACIDbenzenepropanoic acid, 2-bromo-4,5-dimethoxy-5-diMethoxy-NSC143400Benzenepropanoic acid,2-bromo-4,5-dimethoxy-2-Bromo-4,5-dimethoxy-Benzenepropanoic Acid (9CI)SCHEMBL7820588
Show more names
DTXSID90967118CS-B0127AKOS002256962NSC-143400NS-04807SY473500ST502087713-(2-bromo-4,5-dimethoxy-phenyl)propanoic acid
Database identifiers
- CAS
52679-49-9- PubChem CID
- 285845
- DTXSID
DTXSID90967118
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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