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58349-01-2

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Basic Information
CAS No.: 58349-01-2
Name: 4-BROMO-2-CHLORO-6-NITROPHENOL
Article Data: 12
Molecular Structure:
Molecular Structure of 58349-01-2 (4-BROMO-2-CHLORO-6-NITROPHENOL)
Formula: C6H3BrClNO3
Molecular Weight: 252.452
Synonyms: 4-Bromo-2-chloro-6-nitrophenol;
Density: 1.974 g/cm3
Boiling Point: 257 °C at 760 mmHg
Flash Point: 109.2 °C
Solubility: Water solubility: 26.3 mg/L
PSA: 66.05000
LogP: 3.23950
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Specification

The Phenol,4-bromo-2-chloro-6-nitro- has the CAS registry number 58349-01-2. This chemical's molecular formula is C6H3BrClNO3 and molecular weight is 252.45. What's more, its systematic name is 4-Bromo-2-chloro-6-nitrophenol.

Physical properties of Phenol,4-bromo-2-chloro-6-nitro- are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 0.47; (5)ACD/BCF (pH 5.5): 15.27; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 130.86; (8)ACD/KOC (pH 7.4): 2.68; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 47.26 cm3; (15)Molar Volume: 127.8 cm3; (16)Polarizability: 18.73×10-24 cm3; (17)Surface Tension: 65.8 dyne/cm; (18)Density: 1.974 g/cm3; (19)Flash Point: 109.2 °C; (20)Enthalpy of Vaporization: 51.45 kJ/mol; (21)Boiling Point: 257 °C at 760 mmHg; (22)Vapour Pressure: 0.00929 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1Cl)O)[N+](=O)[O-])Br
(2)InChI: InChI=1S/C6H3BrClNO3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H
(3)InChIKey: SCQYUKGOAZBRQL-UHFFFAOYSA-N