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110945-00-1

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Basic Information
CAS No.: 110945-00-1
Name: Ethanone, 2-chloro-1-[4-(dimethylamino)phenyl]- (9CI)
Article Data: 2
Molecular Structure:
Molecular Structure of 110945-00-1 (Ethanone, 2-chloro-1-[4-(dimethylamino)phenyl]- (9CI))
Formula: C10H12ClNO
Molecular Weight: 197.664
Synonyms: 2-Chloro-1-[4-(dimethylamino)phenyl]ethanone;2-Chloro-4'-(dimethylamino)acetophenone;4-(N,N-Dimethylamino)phenacyl bromide;
Density: 1.16 g/cm3
Boiling Point: 326.1 °C at 760 mmHg
Flash Point: 151 °C
PSA: 20.31000
LogP: 2.17410
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Specification

The Ethanone,2-chloro-1-[4-(dimethylamino)phenyl]-, with the CAS registry number 110945-00-1, is also known as 2-Chloro-4'-(dimethylamino)acetophenone. It belongs to the product category of Acetylhalide. This chemical's molecular formula is C10H12ClNO and molecular weight is 197.66. What's more, its systematic name is 2-chloro-1-[4-(dimethylamino)phenyl]ethanone.

Physical properties of Ethanone,2-chloro-1-[4-(dimethylamino)phenyl]- are: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.28; (5)ACD/BCF (pH 5.5): 31.95; (6)ACD/BCF (pH 7.4): 31.96; (7)ACD/KOC (pH 5.5): 415.48; (8)ACD/KOC (pH 7.4): 415.53; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 55.44 cm3; (15)Molar Volume: 170.3 cm3; (16)Polarizability: 21.97×10-24cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 151 °C; (20)Enthalpy of Vaporization: 56.83 kJ/mol; (21)Boiling Point: 326.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00022 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C)C1=CC=C(C=C1)C(=O)CCl
(2)InChI: InChI=1S/C10H12ClNO/c1-12(2)9-5-3-8(4-6-9)10(13)7-11/h3-6H,7H2,1-2H3
(3)InChIKey: ONHGPIBFTKDBHT-UHFFFAOYSA-N