Trichome

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Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: InChI1 InChIKey1 SMILES.
Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: InChI1->InChI StdInChI StdInChIKey.
Line 9: Line 9:
| ChemSpiderID=21106136
| ChemSpiderID=21106136
| SMILES = COc1ccc(cc1)C(Cl)=O
| SMILES = COc1ccc(cc1)C(Cl)=O
| InChI1 = 1/C8H7ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
| InChI = 1/C8H7ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
| InChIKey1 = MXMOTZIXVICDSD-UHFFFAOYAC
| InChIKey = MXMOTZIXVICDSD-UHFFFAOYAC
| StdInChI = 1S/C8H7ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
| StdInChIKey = MXMOTZIXVICDSD-UHFFFAOYSA-N
| CASNo =
| CASNo =
| RTECS =
| RTECS =

Revision as of 15:10, 29 November 2010

Anisoyl chloride
Anisoyl chloride
Names
Other names
Methoxybenzoyl chloride
Identifiers
3D model (JSmol)
ChemSpider
  • InChI=1S/C8H7ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
    Key: MXMOTZIXVICDSD-UHFFFAOYSA-N
  • InChI=1/C8H7ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
    Key: MXMOTZIXVICDSD-UHFFFAOYAC
  • COc1ccc(cc1)C(Cl)=O
Properties
C8H7ClO2
Molar mass 170.59 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

Anisoyl chloride (also called methoxybenzoyl chloride) is an acyl halide, specifically an aromatic acyl chloride, and may be formed from anisic acid by replacing a hydroxyl group with a chloride group. There are three isomers, the ortho-, meta-, and para- forms.

References

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