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Basic Information
CAS No.: 135999-16-5
Name: 2-BROMO-3-METHOXYPHENOL
Article Data: 9
Molecular Structure:
Molecular Structure of 135999-16-5 (2-BROMO-3-METHOXYPHENOL)
Formula: C7H7BrO2
Molecular Weight: 203.035
Synonyms: 2-Bromo-3-methoxyphenol;
Density: 1.586 g/cm3
Melting Point: 74-79°C
Boiling Point: 246.49 °C at 760 mmHg
Flash Point: 102.874 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 29.46000
LogP: 2.16330
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Specification

The Phenol, 2-bromo-3-methoxy- has the CAS registry number 135999-16-5. This chemical's molecular formula is C7H7BrO2 and molecular weight is 203.03. What's more, its systematic name is 2-Bromo-3-methoxyphenol.

Physical properties of Phenol, 2-bromo-3-methoxy- are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 33; (6)ACD/BCF (pH 7.4): 27; (7)ACD/KOC (pH 5.5): 426; (8)ACD/KOC (pH 7.4): 349; (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: 1.578; (14)Molar Refractivity: 42.503 cm3; (15)Molar Volume: 128.05 cm3; (16)Polarizability: 16.85×10-24 cm3; (17)Surface Tension: 43.818 dyne/cm; (18)Density: 1.586 g/cm3; (19)Flash Point: 102.874 °C; (20)Enthalpy of Vaporization: 50.319 kJ/mol; (21)Boiling Point: 246.49 °C at 760 mmHg; (22)Vapour Pressure: 0.017 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cccc(O)c1Br
(2)InChI: InChI=1/C7H7BrO2/c1-10-6-4-2-3-5(9)7(6)8/h2-4,9H,1H3
(3)InChIKey: GCFJMEJVRHBPJI-UHFFFAOYSA-N