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AE-562/43460135 is available in 957 mg

Compound details
MDL #:		MFCD00016541
Formula:		C9 H9 Br O2
Weight:		229.07
Chiral info:		Not available
Name:		4-(2-bromoethyl)benzoic acid
SMILES:		O=C(O)c1ccc(cc1)CCBr
InChI^TM:		InChI=1S/C9H9BrO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKey^TM:		BKMRWJWLBHHGCF-UHFFFAOYSA-N

Chemical properties calculations
LogP:	3.26	H-acceptors: 2
LogS:	-3.65	H-donors: 1
tPSA:	37.3 Å²	Rotatable bonds: 3

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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.