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CAS No.: | 90282-99-8 |
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Name: | 1-CHLORO-2,3-DIMETHOXYBENZENE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H9ClO2 |
Molecular Weight: | 172.611 |
Synonyms: | 3-Chloro-1,2-dimethoxybenzene;3-Chloroveratrole; |
Density: | 1.155g/cm3 |
Boiling Point: | 216.1 °C at 760 mmHg |
Flash Point: | 75.8 °C |
PSA: | 18.46000 |
LogP: | 2.35720 |
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The Benzene,1-chloro-2,3-dimethoxy-, with CAS registry number 90282-99-8, has the systematic name of 1-chloro-2,3-dimethoxybenzene. Besides this, it is also called 1,2-Dimethoxy-3-chloro-benzene. And the chemical formula of this chemical is C8H9ClO2.
Physical properties of Benzene,1-chloro-2,3-dimethoxy-: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 70.24; (6)ACD/BCF (pH 7.4): 70.24; (7)ACD/KOC (pH 5.5): 730.11; (8)ACD/KOC (pH 7.4): 730.11; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 44.5 cm3; (15)Molar Volume: 149.3 cm3; (16)Polarizability: 17.64×10-24cm3; (17)Surface Tension: 32.4 dyne/cm; (18)Enthalpy of Vaporization: 43.4 kJ/mol; (19)Vapour Pressure: 0.21 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(OC)c1OC
(2)InChI: InChI=1/C8H9ClO2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5H,1-2H3
(3)InChIKey: JVCXXMPHTZGGNV-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H9ClO2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5H,1-2H3
(5)Std. InChIKey: JVCXXMPHTZGGNV-UHFFFAOYSA-N