(2-Acetylamino-4-bromo-phenyl)-acetic acid ethyl ester
Basic information
- CAS
1123169-18-5- Standard SMILES
CCOC(=O)Cc1ccc(Br)cc1NC(C)=O- InChIKey
WFQICSIAQMOEGF-UHFFFAOYSA-N- Molecular formula
- C12H14BrNO3
- Average molar mass
- 300.15 g/mol
- Monoisotopic mass
- 299.01571
Names & identifiers
- Preferred name
- (2-Acetylamino-4-bromo-phenyl)-acetic acid ethyl ester
- IUPAC
- ethyl 2-(2-acetamido-4-bromophenyl)acetate
- English name
- (2-Acetylamino-4-bromo-phenyl)-acetic acid ethyl ester
- Molecular formula
- C12H14BrNO3
- Molecular weight
- 300.15
Names & synonyms
(2-Acetylamino-4-bromo-phenyl)-acetic acid ethyl ester1123169-18-5MFCD11858323ethyl 2-(2-acetamido-4-bromophenyl)acetateDTXSID601260009SB30728Ethyl (2-acetamido-4-bromophenyl)acetateethyl 2-(4-bromo-2-acetamidophenyl)acetateCS-0342599Ethyl 2-(acetylamino)-4-bromobenzeneacetateethyl 2-(2-acetamido-4-bromo-phenyl)acetate(2-Acetylamino-4-bromo-phenyl)-aceticacidethylester
Show more names
Benzeneacetic acid, 2-(acetylamino)-4-bromo-, ethyl ester
Database identifiers
- CAS
1123169-18-5- PubChem CID
- 74889535
- DTXSID
DTXSID601260009
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Boiling point
- 429.3 · 429.3±40.0 °C(Predicted)
- Density
- 1.442 · 1.442±0.06 g/cm3(Predicted)
- pka
- 14.22 · 14.22±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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