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342899-36-9

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Basic Information
CAS No.: 342899-36-9
Name: 3-AMINO-4-BENZOYL-2-CHLOROPYRIDINE
Molecular Structure:
Molecular Structure of 342899-36-9 (3-AMINO-4-BENZOYL-2-CHLOROPYRIDINE)
Formula: C12H9ClN2O
Molecular Weight: 232.669
Synonyms: (3-Amino-2-chloropyridin-4-yl)(phenyl)methanone;3-Amino-4-Benzoyl-2-Chloropyridine;
Density: 1.33 g/cm3
Boiling Point: 453.546 °C at 760 mmHg
Flash Point: 228.096 °C
PSA: 55.98000
LogP: 3.12940
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Specification

The CAS registry number of Methanone,(3-amino-2-chloro-4-pyridinyl)phenyl- is 342899-36-9. The systematic name is (3-amino-2-chloropyridin-4-yl)(phenyl)methanone. In addition, the molecular formula is C12H9ClN2O and the molecular weight is 232.67. It should be stored in a cool and dry place.

Physical properties about Methanone,(3-amino-2-chloro-4-pyridinyl)phenyl- are: (1)ACD/LogP: 2.37; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 111; (5)ACD/BCF (pH 7.4): 111; (6)ACD/KOC (pH 5.5): 1013; (7)ACD/KOC (pH 7.4): 1013; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 55.98 Å2; (12)Index of Refraction: 1.643; (13)Molar Refractivity: 63.268 cm3; (14)Molar Volume: 175.003 cm3; (15)Polarizability: 25.082 ×10-24cm3; (16)Surface Tension: 57.909 dyne/cm; (17)Density: 1.33 g/cm3; (18)Flash Point: 228.096 °C; (19)Enthalpy of Vaporization: 71.297 kJ/mol; (20)Boiling Point: 453.546 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nccc(C(=O)c1ccccc1)c2N
(2)InChI: InChI=1/C12H9ClN2O/c13-12-10(14)9(6-7-15-12)11(16)8-4-2-1-3-5-8/h1-7H,14H2
(3)InChIKey: MPSCEEZYOQADQE-UHFFFAOYAC