Molecular Structure of Phenol,4-bromo-3-methoxy- (CAS No. 102127-34-4):
Systematic Name: 4-Bromo-3-methoxyphenol
Synonyms: 4-Bromo-5-methoxyphenol
Molecular Formula: C7H7BrO2
Molecular Weight: 203.03
CAS Registry Number: 102127-34-4
Melting Point: 75-78°C
Index of Refraction: 1.578
Molar Refractivity: 42.5 cm3
Molar Volume: 128 cm3
Surface Tension: 43.8 dyne/cm
Density: 1.585 g/cm3
Flash Point: 122.7 °C
Enthalpy of Vaporization: 53.88 kJ/mol
Boiling Point: 279.3 °C at 760 mmHg
Vapour Pressure: 0.00239 mmHg at 25°C
Structure Descriptors of Phenol,4-bromo-3-methoxy- (CAS No. 102127-34-4):
SMILES: Brc1ccc(O)cc1OC
InChI: InChI=1/C7H7BrO2/c1-10-7-4-5(9)2-3-6(7)8/h2-4,9H,1H3
InChIKey: UYDZUCNMZXCLJI-UHFFFAOYAA
Std. InChI: InChI=1S/C7H7BrO2/c1-10-7-4-5(9)2-3-6(7)8/h2-4,9H,1H3
Std. InChIKey: UYDZUCNMZXCLJI-UHFFFAOYSA-N
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