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AB-131/40170939 is available in 5814 mg

Compound details
MDL #:		MFCD00007248
Formula:		C7 H3 Cl N2 O5
Weight:		230.56
Chiral info:		Not available
Name:		3,5-dinitrobenzoyl chloride
SMILES:		O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])Cl
InChI^TM:		InChI=1S/C7H3ClN2O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H
InChIKey^TM:		NNOHXABAQAGKRZ-UHFFFAOYSA-N

Toxicity predictions
Rat Oral LD₅₀:		1380 mg/Kg
Chronic LOAEL:		135 mg/Kg
AMES Mutagenicity:		1
Developmental Toxicity Potential:		0.32

Chemical properties calculations
LogP:	1.07	H-acceptors: 1
LogS:	-2.19
tPSA:	103.35 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.