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915707-41-4

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Basic Information
CAS No.: 915707-41-4
Name: 4-(1-Methyl-1H-pyrazol-3-yl)benzonitrile
Molecular Structure:
Molecular Structure of 915707-41-4 (4-(1-Methyl-1H-pyrazol-3-yl)benzonitrile)
Formula: C11H9N3
Molecular Weight: 183.21
Synonyms: 4-(1-Methyl-1H-pyrazol-3-yl)benzonitrile;4-(1-Methyl-1H-pyrazol-3-yl)benzonitrile 97%
Density: 1.11 g/cm3
Melting Point: 146 °C
Boiling Point: 356.4 °C at 760 mmHg
Flash Point: 169.4 °C
PSA: 41.61000
LogP: 1.95878
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Specification

This chemical is called Benzonitrile, 4-(1-methyl-1H-pyrazol-3-yl)-, and its systematic name is 4-(1-methylpyrazol-3-yl)benzonitrile. With the molecular formula of C11H9N3, its molecular weight is 183.21. The CAS registry number of this chemical is 915707-41-4.

Other characteristics of the Benzonitrile, 4-(1-methyl-1H-pyrazol-3-yl)- can be summarised as followings: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 41.61 Å2; (9)Index of Refraction: 1.61; (10)Molar Refractivity: 56.87 cm3; (11)Molar Volume: 164 cm3; (12)Polarizability: 22.54×10-24cm3; (13)Surface Tension: 44.2 dyne/cm; (14)Density: 1.11 g/cm3; (15)Flash Point: 169.4 °C; (16)Enthalpy of Vaporization: 60.17 kJ/mol; (17)Boiling Point: 356.4 °C at 760 mmHg; (18)Vapour Pressure: 2.92E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Cn1ccc(n1)c2ccc(cc2)C#N
2.InChI: InChI=1/C11H9N3/c1-14-7-6-11(13-14)10-4-2-9(8-12)3-5-10/h2-7H,1H3
3.InChIKey: OGJIPYGVYSEOQL-UHFFFAOYAF