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Molecular Structure of 4-Chloro-1-hydroxynaphthalene-2-carboxylic acid (CAS NO.5409-15-4):
IUPAC Name: 4-Chloro-1-hydroxynaphthalene-2-carboxylic acid
Molecular Formula: C11H7ClO3
Molecular Weight: 222.62
EINECS: 226-477-7
XLogP3: 4.2
H-Bond Donor: 2
H-Bond Acceptor: 3
Index of Refraction: 1.719
Molar Refractivity: 57.8 cm3
Molar Volume: 146.4 cm3
Surface Tension: 70.3 dyne/cm
Density: 1.52 g/cm3
Flash Point: 191.5 °C
Enthalpy of Vaporization: 67.8 kJ/mol
Boiling Point: 393.1 °C at 760 mmHg
Vapour Pressure: 6.96E-07 mmHg at 25 °C
Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)Cl
InChI: InChI=1S/C11H7ClO3/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)
InChIKey: XRWGZDGUXYNIOS-UHFFFAOYSA-N
4-Chloro-1-hydroxynaphthalene-2-carboxylic acid (CAS NO.5409-15-4), its Synonyms are 2-Naphthalenecarboxylicacid, 4-chloro-1-hydroxy- ; 2-Naphthoicacid, 4-chloro-1-hydroxy- (6CI,7CI,8CI) ; 4-Chloro-1-hydroxy-2-naphthoic acid .