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AB-131/42300738 is available in 1817 mg

Compound details
MDL #:		MFCD04971209
Formula:		C10 H13 Br O
Weight:		229.12
Salt Data:		(C6H5)3P
Chiral info:		Not available
Name:		5-(bromomethyl)-2-methoxy-1,3-dimethylbenzene
SMILES:		COc1c(C)cc(cc1(C))CBr
InChI^TM:		InChI=1S/C10H13BrO/c1-7-4-9(6-11)5-8(2)10(7)12-3/h4-5H,6H2,1-3H3
InChIKey^TM:		UNHHRBRRQFFQIT-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		20700 mg/Kg
Chronic LOAEL:		63.5 mg/Kg
AMES Mutagenicity:		1
Developmental Toxicity Potential:		0.85

Chemical properties calculations
LogP:	4.06
LogS:	-4.34
tPSA:	9.23 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.