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CRL-40,941
Provenance

CRL-40,941 is a stimulant and research compound also known as N-(3,4-Dichlorophenyl)-N'-hydroxypropanediamide, 3,4-Dichlorophenylcarbamoylacetohydroxamic acid, 65051-16-3, Propanediamide, N-(3,4-dichlorophenyl)-N'-hydroxy- and AC1MIOG1. The molecular formula for CRL-40,941 is C15H13F2NO3S. The average mass of the chemical compound is 325.330414 Da with a monoisotopic mass of 325.058411 Da. The Systematic name is 2-{[Bis(4-fluorophenyl)methyl]sulfinyl}-N-hydroxyacetamide.

Research on CRL-40,941 was conducted by ACD/Labs’ and ChemAxon.
Properties that were predicted by ACD/Labs showed 4 #H bond acceptors, 6 #Freely rotating bonds, index of refraction of 1.622, a surface tension of 53.2±3.0 dyne/cm and a molar volume of 224.0±3.0 cm³.

Properties that were predicted by ChemAxon included a topology analysis, which showed an atom count of 35, bond count of 36, cyclomatic number of 2, chain atom count of 10, chain bond count of 11, asymmetric atom count of 1, and rotatable bond count of 5. Under geometry, the information provided showed deriding energy of 50.95 kcal/mol with a volume of 263.09 Å3, a minimal projection area of 59.98 Å2 and maximum at 73.98 Å2.

Chemical and physical properties of CRL-40,941 include a heavy atom count of 216, topological polar surface area of 78.4, covalently bonded unit count of 1, feature 3D acceptor count of 2, feature 3D donor count of 2, feature 3D anion count of 1, feature 3D ring count of 1, and effective rotor count of 5.

CRL-40,941 is at this time classified as a research compound. This means it is not intended for human or animal consumption and should be used in controlled settings for scientific or forensic research studies.

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