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2620-53-3

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Basic Information
CAS No.: 2620-53-3
Name: (4-chlorophenyl) N-methylcarbamate
Article Data: 6
Molecular Structure:
Molecular Structure of 2620-53-3 ((4-chlorophenyl) N-methylcarbamate)
Formula: C8H8ClNO2
Molecular Weight: 185.61
Synonyms: 4-Chlorophenyl methylcarbamate;N-Methylcarbamic acid (4-chlorophenyl) ester;(4-Chlorophenyl) N-methylcarbamate;4-Chlorphenyl-methylcarbamat;Mephenate;
Density: 1.255 g/cm3
Melting Point: 115-116 °C(Solv: methanol (67-56-1); ethanol (64-17-5); octane (111-65-9))
Boiling Point: 254 °C at 760 mmHg
Flash Point: 107.4 °C
PSA: 41.82000
LogP: 2.26260
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    Carbamic acid,N-methyl-,4-chlorophenyl ester

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Specification

The Carbamic acid,N-methyl-,4-chlorophenyl ester, with the CAS registry number of 2620-53-3, is also known as N-Methylcarbamic acid (4-chlorophenyl) ester. The molecular formula of this chemical is C8H8ClNO2 and its molecular weight is 185.6076. What's more, its IUPAC name is (4-Chlorophenyl) N-methylcarbamate. This chemical's classification code are Agricultural Chemical; Avicide.

Physical properties about Carbamic acid,N-methyl-,4-chlorophenyl ester are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.04; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 20.8; (6)ACD/BCF (pH 7.4): 20.8; (7)ACD/KOC (pH 5.5): 305.54; (8)ACD/KOC (pH 7.4): 305.53; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 46.08 cm3; (15)Molar Volume: 147.8 cm3; (16)Polarizability: 18.26×10-24 cm3; (17)Surface Tension: 40.3 dyne/cm; (18)Density: 1.255 g/cm3; (19)Flash Point: 107.4 °C; (20)Enthalpy of Vaporization: 49.15 kJ/mol; (21)Boiling Point: 254 °C at 760 mmHg; (22)Vapour Pressure: 0.0177 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(OC(=O)NC)cc1
(2) InChI: InChI=1/C8H8ClNO2/c1-10-8(11)12-7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11)
(3) InChIKey: WMMQJAQJAPXWDO-UHFFFAOYAA