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33621-61-3

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Basic Information
CAS No.: 33621-61-3
Name: 2-AMINO-5-(4-CHLOROPHENYL)-1 3 4-OXADIA&
Article Data: 38
Molecular Structure:
Molecular Structure of 33621-61-3 (2-AMINO-5-(4-CHLOROPHENYL)-1 3 4-OXADIA&)
Formula: C8H6ClN3O
Molecular Weight: 195.608
Synonyms: 2-Amino-5-(4-chlorophenyl)-1 3 4-oxadia&;5-(4-Chloro-phenyl)-[1,3,4]oxadiazol-2-ylamine;
Density: 1.415 g/cm3
Melting Point: 245°C (dec.)
Boiling Point: 358.3 °C at 760 mmHg
Flash Point: 170.5 °C
Hazard Symbols: Xn
Risk Codes: 22
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Specification

The CAS register number of 5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-amine is 33621-61-3. It also can be called as 5-(4-Chloro-phenyl)-[1,3,4]oxadiazol-2-ylamine. The molecular formula about this chemical is C8H6ClN3O and the molecular weight is 195.60574.

Physical properties about 5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-amine are: (1)ACD/LogP: 2.21; (2)ACD/LogD (pH 5.5): 2.21; (3)ACD/LogD (pH 7.4): 2.21; (4)ACD/BCF (pH 5.5): 28.13; (5)ACD/BCF (pH 7.4): 28.13; (6)ACD/KOC (pH 5.5): 379.27; (7)ACD/KOC (pH 7.4): 379.27; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 42.16 Å2; (12)Index of Refraction: 1.618; (13)Molar Refractivity: 48.45 cm3; (14)Molar Volume: 138.1 cm3; (15)Polarizability: 19.21x10-24cm3; (16)Surface Tension: 60 dyne/cm; (17)Density: 1.415 g/cm3; (18)Flash Point: 170.5 °C; (19)Enthalpy of Vaporization: 60.37 kJ/mol; (20)Boiling Point: 358.3 °C at 760 mmHg; (21)Vapour Pressure: 2.58E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(c1nnc(o1)N)cc2
(2)InChI: InChI=1/C8H6ClN3O/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
(3)InChIKey: ZMWWZXSPDQIWAZ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H6ClN3O/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
(5)Std. InChIKey: ZMWWZXSPDQIWAZ-UHFFFAOYSA-N