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Glycine,N-(2-iodobenzoyl)-

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Name

Glycine,N-(2-iodobenzoyl)-

EINECS 205-693-5
CAS No. 147-58-0 Density 1.871 g/cm3
PSA 66.40000 LogP 1.49650
Solubility N/A Melting Point 170-172 °C(lit.)
Formula C9H8INO3 Boiling Point 480.9 °C at 760 mmHg
Molecular Weight 305.072 Flash Point 244.6 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 147-58-0 (2'-IODOHIPPURIC ACID) Hazard Symbols N/A
Synonyms

Iodohippuricacid;

Article Data 3

Glycine,N-(2-iodobenzoyl)- Specification

The Glycine,N-(2-iodobenzoyl)-, with the CAS registry number of 147-58-0, is also known as Iodohippuricacid. Its EINECS registry number is 205-693-5. This chemical's molecular formula is C9H8INO3 and molecular weight is 305.07. What's more, its IUPAC name is 2-[(2-Iodobenzoyl)amino]acetic acid. The dust of this chemical can not be breathed. And it should avoid contacting with skin and eyes. This chemical's classification code is Contrast media.

Physical properties about the Glycine,N-(2-iodobenzoyl)- are: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.14; (4)ACD/LogD (pH 7.4): -2.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.61 Å2; (12)Index of Refraction: 1.643; (13)Molar Refractivity: 58.97 cm3; (14)Molar Volume: 162.9 cm3; (15)Surface Tension: 62.1 dyne/cm; (16)Density: 1.871 g/cm3; (17)Flash Point: 244.6 °C; (18)Enthalpy of Vaporization: 78.52 kJ/mol; (19)Boiling Point: 480.9 °C at 760 mmHg; (20)Vapour Pressure: 4.67E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1I)NCC(=O)OA
(2) InChI: InChI=1/C9H8INO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
(3) InChIKey: CORFWQGVBFFZHF-UHFFFAOYAO

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