Name: 3-Amino-4-Iodo Benzoic Acid 4-Iodo-3-Amino Benzoic Acid
SKU: 51411-81-5

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Basic Information

Molecular Structure:
CAS No.:	51411-81-5
Name:	3-Amino-4-Iodo Benzoic Acid 4-Iodo-3-Amino Benzoic Acid
Article Data:	1

Formula:	C₇H₆INO₂
Molecular Weight:	526.06502
Synonyms:	3-Amino-4-iodobenzoicacid;3-amino-4-iodobenzoic acid;benzoic acid, 3-amino-4-iodo-;3-Amino-4-Iodobenzoic Acid4-Iodo-3-Amino Benzoic Acid;Aminoiodobenzoicacid;
Density:	2.082 g/cm³
Boiling Point:	382.2 °C at 760 mmHg
Flash Point:	184.9 °C
PSA:	126.64000
LogP:	4.30560

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Specification

The Benzoic acid,3-amino-4-iodo-, with the CAS registry number 51411-81-5, has the systematic name of 3-amino-4-iodobenzoic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₆INO₂.

The characteristics of Benzoic acid,3-amino-4-iodo- are as followings: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1.56; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.7; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.728; (14)Molar Refractivity: 50.32 cm³; (15)Molar Volume: 126.3 cm³; (16)Polarizability: 19.95×10^-24cm³; (17)Surface Tension: 74.2 dyne/cm; (18)Density: 2.082 g/cm³; (19)Flash Point: 184.9 °C; (20)Enthalpy of Vaporization: 66.51 kJ/mol; (21)Boiling Point: 382.2 °C at 760 mmHg; (22)Vapour Pressure: 1.6E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Ic1ccc(C(=O)O)cc1N
(2)InChI: InChI=1/C7H6INO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
(3)InChIKey: MLHDNXRHJMQUOY-UHFFFAOYAB