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{[(2,3,6-Trichlorobenzoyl)amino]oxy}acetic acid

ChemSpider ID: 14676123
Molecular Formula: C₉H₆Cl₃NO₄
Monoisotopic mass: 296.936249 Da
Systematic name

{[(2,3,6-Trichlorobenzoyl)amino]oxy}acetic acid
SMILES and InChIs

SMILES:

Clc1c(C(=O)NOCC(O)=O)c(Cl)ccc1Cl Copied

Std. InChI:

InChI=1S/C9H6Cl3NO4/c10-4-1-2-5(11)8(12)7(4)9(16)13-17-3-6(14)15/h1-2H,3H2,(H,13,16)(H,14,15) Copied

Std. InChIKey:

JZMXAGCJGGAAKS-UHFFFAOYSA-N Copied

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	1.863	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	-1.09	ACD/LogD (pH 7.4):	-1.86
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	1.00	ACD/KOC (pH 7.4):	1.00
#H bond acceptors:	5	#H bond donors:	2
#Freely Rotating Bonds:	4	Polar Surface Area:	75.63 Å²
Index of Refraction:	1.598	Molar Refractivity:	62.503 cm³
Molar Volume:	183.127 cm³	Polarizability:	24.778 10^-24cm³
Surface Tension:	59.8110008239746 dyne/cm	Density:	1.63 g/cm³
Flash Point:	°C	Enthalpy of Vaporization:	kJ/mol
Boiling Point:	°C at 760 mmHg	Vapour Pressure:	mmHg at 25°C

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