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73661-09-3

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Basic Information
CAS No.: 73661-09-3
Name: 2-CHLORO-1,4-NAPHTHALENEDIOL
Article Data: 1
Molecular Structure:
Molecular Structure of 73661-09-3 (2-CHLORO-1,4-NAPHTHALENEDIOL)
Formula: C10H7ClO2
Molecular Weight: 194.617
Synonyms: 3-CHLORO-1,4-DIHYDROXYNAPHTHALENE;2-CHLORO-1,4-NAPHTHALENEDIOL
Density: 1.47 g/cm3
Boiling Point: 389 °C at 760 mmHg
Flash Point: 189 °C
PSA: 40.46000
LogP: 2.90440
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Specification

The 1,4-Naphthalenediol,2-chloro-, with the CAS registry number of 73661-09-3, is also known as 3-Chloro-1,4-dihydroxynaphthalene. This chemical's molecular formula is C10H7ClO2 and molecular weight is 194.61. What's more, its systematic name is 2-Chloronaphthalene-1,4-diol. 

Physical properties about 1,4-Naphthalenediol,2-chloro- are: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.75; (4)ACD/LogD (pH 7.4): 2.64; (5)ACD/BCF (pH 5.5): 72.6; (6)ACD/BCF (pH 7.4): 56.2; (7)ACD/KOC (pH 5.5): 746.79; (8)ACD/KOC (pH 7.4): 578.14; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.728; (14)Molar Refractivity: 52.75 cm3; (15)Molar Volume: 132.3 cm3; (16)Polarizability: 20.91×10-24 cm3; (17)Surface Tension: 65.8 dyne/cm; (18)Density: 1.47 g/cm3; (19)Flash Point: 189 °C; (20)Enthalpy of Vaporization: 66.32 kJ/mol; (21)Boiling Point: 389 °C at 760 mmHg; (22)Vapour Pressure: 1.32×10-06 mmHg at 25 °C.

You can still convert the following data into molecular structure:
(1) SMILES: Clc1c(O)c2c(c(O)c1)cccc2
(2) InChI: InChI=1/C10H7ClO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5,12-13H
(3) InChIKey: PIYNJSHPUFMGLC-UHFFFAOYAM