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AE-641/00568013 is available in 8579 mg

Compound details
MDL #:		MFCD00040944
Formula:		C6 H4 Br N O2
Weight:		202.01
Chiral info:		Not available
Name:		3-bromoisonicotinic acid
SMILES:		OC(=O)c1ccncc1Br
InChI^TM:		InChI=1S/C6H4BrNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10)
InChIKey^TM:		AVXWWBFBRTXBRM-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		1830 mg/Kg
Chronic LOAEL:		176 mg/Kg
Developmental Toxicity Potential:		1

Chemical properties calculations
LogP:	1.23	H-acceptors: 3
LogS:	-1.73	H-donors: 1
tPSA:	50.19 Å²	Rotatable bonds: 1

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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.