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AE-562/12222516 is available in 25988 mg

Compound details
MDL #:		MFCD01463690
Formula:		C9 H11 Br O2
Weight:		231.09
Chiral info:		Not available
Name:		1-bromo-3,4-dimethoxy-2-methylbenzene
SMILES:		COc1ccc(c(C)c1(OC))Br
InChI^TM:		InChI=1S/C9H11BrO2/c1-6-7(10)4-5-8(11-2)9(6)12-3/h4-5H,1-3H3
InChIKey^TM:		JDIYVHQIOHSCQG-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		45200 mg/Kg
Chronic LOAEL:		212 mg/Kg
Developmental Toxicity Potential:		0.56

Chemical properties calculations
LogP:	3.08
LogS:	-3.51
tPSA:	18.46 Å²	Rotatable bonds: 2

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Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.