Molecular Structure of Methyl 3-(bromomethyl)-5-methoxybenzoate (CAS No.133357-62-7):
Molecular Formula: C10H11BrO3
Molecular Weight: 259.10
CAS No: 133357-62-7
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 35.53 Å2
Index of Refraction: 1.547
Molar Refractivity: 57.35 cm3
Molar Volume: 180.8 cm3
Surface Tension: 41 dyne/cm
Density: 1.432 g/cm3
Flash Point: 157.7 °C
Enthalpy of Vaporization: 58.04 kJ/mol
Boiling Point: 337.1 °C at 760 mmHg
Vapour Pressure: 0.000107 mmHg at 25°C
Systematic Name: Methyl 3-(bromomethyl)-5-methoxy-benzoate
InChI: InChI=1/C10H11BrO3/c1-13-9-4-7(6-11)3-8(5-9)10(12)14-2/h3-5H,6H2,1-2H3
InChIKey: SZSHGWWDWSLOQS-UHFFFAOYAB
Std. InChI: InChI=1S/C10H11BrO3/c1-13-9-4-7(6-11)3-8(5-9)10(12)14-2/h3-5H,6H2,1-2H3
Std. InChIKey: SZSHGWWDWSLOQS-UHFFFAOYSA-N
Methyl 3-(bromomethyl)-5-methoxybenzoate (CAS No.133357-62-7), it also can be called Benzoic acid, 3-(bromomethyl)-5-methoxy-, methyl ester .
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