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80099-81-6

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Basic Information
CAS No.: 80099-81-6
Name: 3-BENZOYL-2-CHLOROPYRIDINE
Article Data: 15
Molecular Structure:
Molecular Structure of 80099-81-6 (3-BENZOYL-2-CHLOROPYRIDINE)
Formula: C12H8ClNO
Molecular Weight: 217.655
Synonyms: 3-Benzoyl-2-chloropyridine;2-Chloro-3-pyridylphenyl ketone;
Density: 1.26 g/cm3
Boiling Point: 356.8 °C at 760 mmHg
Flash Point: 169.6 °C
PSA: 29.96000
LogP: 2.96600
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Specification

The 3-Benzoyl-2-chloropyridine is an organic compound with the formula C12H8ClNO. The systematic name of this chemical is (2-chloropyridin-3-yl)(phenyl)methanone. With the CAS registry number 80099-81-6, it is also named as 2-Chloro-3-pyridinyl phenyl ketone. In addition, the molecular weight is 217.65.

The other characteristics of 3-Benzoyl-2-chloropyridine can be summarized as: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 29.96 Å2; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 59.03 cm3; (9)Molar Volume: 172.7 cm3; (10)Polarizability: 23.4×10-24 cm3; (11)Surface Tension: 48.9 dyne/cm; (12)Density: 1.26 g/cm3; (13)Flash Point: 169.6 °C; (14)Enthalpy of Vaporization: 60.21 kJ/mol; (15)Boiling Point: 356.8 °C at 760 mmHg; (16)Vapour Pressure: 2.85E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(c1cccnc1Cl)c2ccccc2
2. InChI:InChI=1/C12H8ClNO/c13-12-10(7-4-8-14-12)11(15)9-5-2-1-3-6-9/h1-8H 
3. InChIKey:KKJGMDXUAOTRBW-UHFFFAOYAH
4. Std. InChI:InChI=1S/C12H8ClNO/c13-12-10(7-4-8-14-12)11(15)9-5-2-1-3-6-9/h1-8H 
5. Std. InChIKey:KKJGMDXUAOTRBW-UHFFFAOYSA-N