Specs - Compound Management services and Research Compounds for the Life Science industry

Specs ID search result

AN-652/11843412 is available in 3 mg

Compound details
MDL #:		MFCD01338104
Formula:		C12 H14 Br N O
Weight:		268.15
Chiral info:		Not available
Name:		N-(2-bromophenyl)cyclopentanecarboxamide
SMILES:		O=C(Nc1ccccc1Br)C2CCCC2
InChI^TM:		InChI=1S/C12H14BrNO/c13-10-7-3-4-8-11(10)14-12(15)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,14,15)
InChIKey^TM:		UWSKTJKLUHNDIZ-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		11100 mg/Kg
Chronic LOAEL:		160 mg/Kg

Chemical properties calculations
LogP:	3.2	H-acceptors: 2
LogS:	-3.89	H-donors: 1
tPSA:	29.1 Å²	Rotatable bonds: 3

Purchase 10 mg of AN-652/11843412 for only 20 USD after login to Specs.net! Receive your compounds in clear glass vials within 5 working days after ordering via Specs.net. Please logon to Specs.net using your personal account or register as new user here.

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.