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220003-47-4

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Basic Information
CAS No.: 220003-47-4
Name: 3-Chloroazetidine
Molecular Structure:
Molecular Structure of 220003-47-4 (3-Chloroazetidine)
Formula: C3H6ClN
Molecular Weight: 91.54
Synonyms: 3-CHLOROAZETIDINE
Density: 1.16 g/cm3
Boiling Point: 125.6 °C at 760 mmHg
Flash Point: 29.8 °C
PSA: 12.03000
LogP: 0.52580
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Specification

The 3-Chloroazetidine has CAS registry number 220003-47-4. This chemical's molecular formula is C3H6ClN and molecular weight is 91.5. What's more, its systematic name is 3-Chloroazetidine.

Physical properties about the 3-Chloroazetidine are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 12.03 Å2; (10)Index of Refraction: 1.48; (11)Molar Refractivity: 22.34 cm3; (12)Molar Volume: 78.6 cm3; (13)Surface Tension: 30.9 dyne/cm; (14)Density: 1.16 g/cm3; (15)Flash Point: 29.8 °C; (16)Enthalpy of Vaporization: 36.34 kJ/mol; (17)Boiling Point: 125.6 °C at 760 mmHg; (18)Vapour Pressure: 12.1 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC1CNC1
(2) InChI: InChI=1/C3H6ClN/c4-3-1-5-2-3/h3,5H,1-2H2
(3) InChIKey: GAXJNXCLEVZPFX-UHFFFAOYAN