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CAS No.: | 82477-68-7 |
---|---|
Name: | (3-CHLORO-5-METHOXYPHENYL)METHANOL |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H9ClO2 |
Molecular Weight: | 172.611 |
Synonyms: | (3-Chloro-5-methoxyphenyl)methanol;(3-chloro-5-methoxy-phenyl)methanol; |
Density: | 1.24 g/cm3 |
Boiling Point: | 282.156 °C at 760 mmHg |
Flash Point: | 124.444 °C |
PSA: | 29.46000 |
LogP: | 1.84090 |
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The Benzenemethanol,3-chloro-5-methoxy- has the CAS registry number 82477-68-7. This chemical's molecular formula is C8H9ClO2 and molecular weight is 172.61. What's more, its systematic name is (3-chloro-5-methoxy-phenyl)methanol.
Physical properties of Benzenemethanol,3-chloro-5-methoxy- are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.835; (4)ACD/LogD (pH 7.4): 1.835; (5)ACD/BCF (pH 5.5): 14.619; (6)ACD/BCF (pH 7.4): 14.619; (7)ACD/KOC (pH 5.5): 237.387; (8)ACD/KOC (pH 7.4): 237.387; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 44.278 cm3; (15)Molar Volume: 139.203 cm3; (16)Polarizability: 17.553×10-24cm3; (17)Surface Tension: 41.519 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 124.444 °C; (20)Enthalpy of Vaporization: 55.029 kJ/mol; (21)Boiling Point: 282.156 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(cc(c1)Cl)CO
(2)InChI: InChI=1S/C8H9ClO2/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4,10H,5H2,1H3
(3)InChIKey: OELQQMWFPQWRGF-UHFFFAOYSA-N