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1367864-25-2

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Basic Information
CAS No.: 1367864-25-2
Name: 1H-Isoindol-1-one, 5-amino-6-chloro-2,3-dihydro-
Molecular Structure:
Molecular Structure of 1367864-25-2 (1H-Isoindol-1-one, 5-amino-6-chloro-2,3-dihydro-)
Formula: C8H7ClN2O
Molecular Weight: 182.61
Synonyms: 1H-Isoindol-1-one, 5-amino-6-chloro-2,3-dihydro-
Density: 1.5±0.1 g/cm3
Boiling Point: 519.6±50.0 °C at 760 mmHg
Flash Point: 268.0±30.1 °C
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Specification

The 5-Amino-6-chloro-1-isoindolinone, with the CAS registry number 1367864-25-2, is also known as 1H-Isoindol-1-one, 5-amino-6-chloro-2,3-dihydro-. This chemical's molecular formula is C8H7ClN2O and molecular weight is 182.61. What's more, its systematic name is 5-Amino-6-chloro-1-isoindolinone.

Physical properties of 5-Amino-6-chloro-1-isoindolinone are: (1)ACD/LogP: 0.63±0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 1.77; (6)ACD/BCF (pH 7.4): 1.77; (7)ACD/KOC (pH 5.5): 52.30; (8)ACD/KOC (pH 7.4): 52.30; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.12 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 46.4±0.3 cm3; (15)Molar Volume: 125.3±3.0 cm3; (16)Polarizability: 18.4±0.5×10-24cm3; (17)Surface Tension: 61.6±3.0 dyne/cm; (18)Density: 1.5±0.1 g/cm3; (19)Flash Point: 268.0±30.1 °C; (20)Enthalpy of Vaporization: 79.2±3.0 kJ/mol; (21)Boiling Point: 519.6±50.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±1.4 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c2c(cc(c1N)Cl)C(=O)NC2
(2)Std. InChI: InChI=1S/C8H7ClN2O/c9-6-2-5-4(1-7(6)10)3-11-8(5)12/h1-2H,3,10H2,(H,11,12)
(3)Std. InChIKey: LZXOPWJLIZDVFK-UHFFFAOYSA-N