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AN-584/43409812 is available in 3746 mg

Compound details
MDL #:		MFCD00051511
Formula:		C7 H6 Br N O3
Weight:		232.03
Chiral info:		Not available
Name:		1-bromo-4-methoxy-2-nitrobenzene
SMILES:		COc1ccc(c(c1)[N+](=O)[O-])Br
InChI^TM:		InChI=1S/C7H6BrNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
InChIKey^TM:		KCOBIBRGPCFIGF-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		770 mg/Kg
Chronic LOAEL:		63.9 mg/Kg
AMES Mutagenicity:		1
Developmental Toxicity Potential:		0.19

Chemical properties calculations
LogP:	2.78
LogS:	-3.66
tPSA:	52.37 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.