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Benzoic acid,4-(chloromethyl)-, ethyl ester (1201-90-7)

Identification
Name:Benzoic acid,4-(chloromethyl)-, ethyl ester
Synonyms:p-Toluicacid, a-chloro-, ethyl ester (7CI,8CI);Ethyl 4-(chloromethyl)benzoate;Ethyl p-chloromethylbenzoate;Ethyl a-chloro-p-toluate;NSC 124619;p-(Chloromethyl)benzoic acid ethyl ester;
CAS:1201-90-7
Molecular Formula: C10H11ClO2
Molecular Weight: 198.65
InChI: InChI=1/C10H11ClO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2,7H2,1H3
Molecular Structure: (C10H11ClO2) p-Toluicacid, a-chloro-, ethyl ester (7CI,8CI);Ethyl 4-(chloromethyl)benzoate;Ethyl p-chloromethylbe...
Properties
Density:1.158g/cm3
Refractive index:1.523
Appearance:white crystal powder
Specification:

The Ethyl 4-chloromethylbenzoate, with CAS registry number of 1201-90-7, has the systematic name of ethyl 4-(chloromethyl)benzoate. And its IUPAC name is the same one. Besides this, it is also called benzoic acid, 4-(chloromethyl)-, ethyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.523; (8)Molar Refractivity: 52.42 cm3; (9)Molar Volume: 171.5 cm3; (10)Polarizability: 20.78×10-24cm3; (11)Surface Tension: 38.4 dyne/cm; (12)Enthalpy of Vaporization: 53.07 kJ/mol; (13)Vapour Pressure: 0.00196 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: ClCc1ccc(C(=O)OCC)cc1
(2)InChI: InChI=1/C10H11ClO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2,7H2,1H3
(3)InChIKey: JTTXRFNOFFGPFI-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H11ClO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2,7H2,1H3
(5)Std. InChIKey: JTTXRFNOFFGPFI-UHFFFAOYSA-N

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