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EINECS 807-179-1
CAS No. 98775-19-0 Density 1.64 g/cm3
PSA 55.05000 LogP 2.88910
Solubility N/A Melting Point N/A
Formula C7H6BrNO3 Boiling Point 296.418 °C at 760 mmHg
Molecular Weight 232.034 Flash Point 133.069 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 98775-19-0 (1-Bromo-2-methoxy-3-nitro-benzene) Hazard Symbols N/A



1-Bromo-2-methoxy-3-nitrobenzene Specification

The Benzene,1-bromo-2-methoxy-3-nitro-, with the CAS registry number 98775-19-0, is also known as 2-Bromo-6-nitrophenyl methyl ether. This chemical's molecular formula is C7H6BrNO3 and molecular weight is 230.95. Its IUPAC name is called 1-bromo-2-methoxy-3-nitrobenzene. 

Physical properties of Benzene,1-bromo-2-methoxy-3-nitro-: (1)ACD/LogP: 2.52; (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): 23; (6)ACD/BCF (pH 7.4): 23; (7)ACD/KOC (pH 5.5): 333; (8)ACD/KOC (pH 7.4): 333; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 47.167 cm3; (14)Molar Volume: 141.462 cm3; (15)Surface Tension: 46.761 dyne/cm; (16)Density: 1.64 g/cm3; (17)Flash Point: 133.069 °C; (18)Enthalpy of Vaporization: 51.473 kJ/mol; (19)Boiling Point: 296.418 °C at 760 mmHg; (20)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=CC=C1Br)[N+](=O)[O-]
(2)InChI: InChI=1S/C7H6BrNO3/c1-12-7-5(8)3-2-4-6(7)9(10)11/h2-4H,1H3

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