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37074-38-7

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Basic Information
CAS No.: 37074-38-7
Name: 4-CHLORO-2-METHYLACETOPHENONE
Article Data: 9
Molecular Structure:
Molecular Structure of 37074-38-7 (4-CHLORO-2-METHYLACETOPHENONE)
Formula: C9H9ClO
Molecular Weight: 168.623
Synonyms: 2-Methyl-4-chloroacetophenone;
Density: 1.13 g/cm3
Boiling Point: 256.5 °C at 760 mmHg
Flash Point: 124.3 °C
PSA: 17.07000
LogP: 2.85100
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Specification

The Ethanone,1-(4-chloro-2-methylphenyl)- is an organic compound with the formula C9H9ClO. The systematic name of this chemical is 1-(5-chloro-2-methylphenyl)ethanone. With the CAS registry number 37074-38-7, it is also named as 3'-Chloro-6'-methylacetophenone.

Physical properties about Ethanone,1-(4-chloro-2-methylphenyl)- are: (1)ACD/LogP: 2.97; (2)ACD/LogD (pH 5.5): 2.97; (3)ACD/LogD (pH 7.4): 2.97; (4)ACD/BCF (pH 5.5): 106.48; (5)ACD/BCF (pH 7.4): 106.48; (6)ACD/KOC (pH 5.5): 983.38; (7)ACD/KOC (pH 7.4): 983.38; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.528; (12)Molar Refractivity: 46 cm3; (13)Molar Volume: 149.1 cm3; (14)Polarizability: 18.23×10-24cm3; (15)Surface Tension: 36.2 dyne/cm; (16)Density: 1.13 g/cm3; (17)Flash Point: 124.3 °C; (18)Enthalpy of Vaporization: 49.4 kJ/mol; (19)Boiling Point: 256.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0153 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(Cl)cc1C(C)=O
(2)InChI: InChI=1/C9H9ClO/c1-6-3-4-8(10)5-9(6)7(2)11/h3-5H,1-2H3
(3)InChIKey: UEBGGERYVCEAEL-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H9ClO/c1-6-3-4-8(10)5-9(6)7(2)11/h3-5H,1-2H3
(5)Std. InChIKey: UEBGGERYVCEAEL-UHFFFAOYSA-N