Benzoic acid, 4-(allyloxy)-3,5-dichloro-, allyl ester
Basic information
- CAS
91954-47-1- Standard SMILES
C=CCOC(=O)c1cc(Cl)c(OCC=C)c(Cl)c1- InChIKey
HUNRSLGZDCMRMJ-UHFFFAOYSA-N- Molecular formula
- C13H12Cl2O3
- Average molar mass
- 287.13 g/mol
- Monoisotopic mass
- 286.0163496
Names & identifiers
- Preferred name
- Benzoic acid, 4-(allyloxy)-3,5-dichloro-, allyl ester
- IUPAC
- prop-2-enyl 3,5-dichloro-4-prop-2-enoxybenzoate
- English name
- Allyl 4-(allyloxy)-3,5-dichlorobenzoate
- Molecular formula
- C13H12Cl2O3
- Molecular weight
- 287.13858
Names & synonyms
BRN 265797291954-47-1Allyl 4-allyloxy-3,5-dichlorobenzoateBENZOIC ACID, 4-(ALLYLOXY)-3,5-DICHLORO-, ALLYL ESTER4-Allyloxy-3,5-dichlorobenzoic acid allyl esterDTXSID90238799RefChem:327465DTXCID90161290Prop-2-en-1-yl 3,5-dichloro-4-[(prop-2-en-1-yl)oxy]benzoateAllyl 4-(allyloxy)-3,5-dichlorobenzoate
Database identifiers
- CAS
91954-47-1- PubChem CID
- 56310
- DTXSID
DTXSID90238799- Nikkaji
- J73.805K
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
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Compound notes
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