3-Acetoxy-2-methylb...

3-Acetoxy-2-methylbenzoyl chloride

3-Acetoxy-2-methylbenzoyl chloride

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  • Purity: ≥98%

Keywords

3-Acetoxy-2-methylbenzoyl chloride

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  • Storage:sealed storage in shady and cool warehouse
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1. Introduction of3-Acetoxy-2-methylbenzoyl chloride

 

The 3-Acetoxy-2-methylbenzoyl chloride, with its CAS NO167678-46-8, it has synonyms of

Details:

1. Introduction of 3-Acetoxy-2-methylbenzoyl chloride

 

The 3-Acetoxy-2-methylbenzoyl chloride, with its CAS NO 167678-46-8, it has synonyms of 3-(Chlorocarbonyl)-2-methylphenylacetate Acetic acid3-chlorocarbonyl-2-methylphenyl ester. 3-Acetoxy-2-methylbenzoyl chloride should be stored in shady cool warehouse.

 

2. Properties of 3-Acetoxy-2-methylbenzoyl chloride

 

(1) XLogP3-AA 2.5  (2) H-Bond Accept3  (3) Rotatable Bond Count 3
(4) Exact Mass 212.024022 (5) MonoIsotopic Mass 212.024022 (6) Topological Polar Surface Area 43.4
(7) Heavy Atom Count 14  (8) Complexity 240  (9) Covalently-Bonded Unit Count 1
(10) Feature 3D AcceptCount 1  (11) Feature 3D Ring Count 1  (12) Effective RotCount 3
(13) Conformer Sampling RMSD 0.6 (14) CID Conformer Count 26

 

3. Structure descriptors of 3-Acetoxy-2-methylbenzoyl chloride

 

IUPAC Name: (3-carbonochloridoyl-2-methylphenyl) acetate

InChI: InChI=1S/C10H9ClO3/c1-6-8(10(11)13)4-3-5-9(6)14-7(2)12/h3-5H,1-2H3

InChIKey: COLDUSGLGQXXEJ-UHFFFAOYSA-N

Canonical SMILES : CC1=C(C=CC=C1OC(=O)C)C(=O)Cl
 

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