IUPAC Name: 5-Chloro-2-nitrophenol
Canonical SMILES: C1=CC(=C(C=C1Cl)O)[N+](=O)[O-]
InChI: InChI=1S/C6H4ClNO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H
InChIKey: MZDBQSFPAMTTIS-UHFFFAOYSA-N
Molecular Weight: 173.55386 [g/mol]
Molecular Formula: C6H4ClNO3
XLogP3: 2.5
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 0
Tautomer Count: 4
Exact Mass: 172.987971
MonoIsotopic Mass: 172.987971
Topological Polar Surface Area: 63.4
Heavy Atom Count: 11
Complexity: 158
EINECS: 210-249-9
Melting Point: 41 °C
Index of Refraction: 1.626
Molar Refractivity: 39.57 cm3
Molar Volume: 111.6 cm3
Surface Tension: 62.2 dyne/cm
Density: 1.554 g/cm3
Flash Point: 103.5 °C
Enthalpy of Vaporization: 50.44 kJ/mol
Boiling Point: 247.6 °C at 760 mmHg
Vapour Pressure: 0.0161 mmHg at 25 °C
Water Solubility of 5-Chloro-2-nitrophenol (CAS NO.611-07-4): 391 mg/L at 25 °C
5-Chloro-2-nitrophenol (CAS NO.611-07-4), its Synonyms are Phenol, 5-chloro-2-nitro- ; 2-Nitro-5-chlorophenol .
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