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CAS No.: | 72232-49-6 |
---|---|
Name: | 2-CHLORO-3-METHOXYPHENOL |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C7H7ClO2 |
Molecular Weight: | 158.584 |
Synonyms: | 2-Chloro-3-methoxyphenol; |
Density: | 1.28 g/cm3 |
Boiling Point: | 241.1 °C at 760 mmHg |
Flash Point: | 99.6 °C |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 29.46000 |
LogP: | 2.05420 |
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The chemical with CAS registry number of 72232-49-6 is also known as Phenol,2-chloro-3-methoxy-. The systematic name is 2-chloro-3-methoxyphenol. In addition, the formula is C7H7ClO2 and the molecular weight is 158.58.
Physical properties of Phenol,2-chloro-3-methoxy-: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 20.2; (6)ACD/BCF (pH 7.4): 16.99; (7)ACD/KOC (pH 5.5): 299.05; (8)ACD/KOC (pH 7.4): 251.45; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 39.7 cm3; (15)Molar Volume: 123.8 cm3; (16)Polarizability: 15.74×10-24cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 99.6 °C; (20)Enthalpy of Vaporization: 49.74 kJ/mol; (21)Boiling Point: 241.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0237 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cccc(O)c1Cl
(2)InChI: InChI=1/C7H7ClO2/c1-10-6-4-2-3-5(9)7(6)8/h2-4,9H,1H3
(3)InChIKey: QGLVWTFUWVTDEQ-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H7ClO2/c1-10-6-4-2-3-5(9)7(6)8/h2-4,9H,1H3
(5)Std. InChIKey: QGLVWTFUWVTDEQ-UHFFFAOYSA-N