2-Chloro-4-(3-dimethylamino-2-propen-1-yl)-benzoic acid methyl ester
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Basic information
- Standard SMILES
COC(=O)c1ccc(CC=CN(C)C)cc1Cl- InChIKey
YCQIBZGTAVUZEJ-UHFFFAOYSA-N- Molecular formula
- C13H16ClNO2
- Average molar mass
- 253.72 g/mol
- Monoisotopic mass
- 253.0869564
Names & identifiers
- Preferred name
- 2-Chloro-4-(3-dimethylamino-2-propen-1-yl)-benzoic acid methyl ester
- IUPAC
- methyl 2-chloro-4-[3-(dimethylamino)prop-2-enyl]benzoate
Names & synonyms
SCHEMBL6616863YCQIBZGTAVUZEJ-UHFFFAOYSA-N2-Chloro-4-(3-dimethylamino-2-propen-1-yl)-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 54501341
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Related reactions
3 records
Compound notes
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