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34098-18-5

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Basic Information
CAS No.: 34098-18-5
Name: 3-CHLORO-4,5-DIHYDROXYBENZALDEHYDE
Article Data: 18
Molecular Structure:
Molecular Structure of 34098-18-5 (3-CHLORO-4,5-DIHYDROXYBENZALDEHYDE)
Formula: C7H5ClO3
Molecular Weight: 172.568
Synonyms: Protocatechualdehyde,5-chloro- (8CI);3-Chloro-4,5-dihydroxybenzaldehyde;5-Chloro-3,4-dihydroxybenzaldehyde;3-chloro-4,5-dihydroxy-benzaldehyde;
Density: 1.57g/cm3
Boiling Point: 290.7 °C at 760 mmHg
Flash Point: 129.6 °C
PSA: 57.53000
LogP: 1.56370
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Specification

The 3-Chloro-4,5-dihydroxybenzaldehyde, with cas registry number 34098-18-5, has the systematic name of 3-chloro-4,5-dihydroxybenzaldehyde. And its IUPAC name is the same one. Besides this, it is also called benzaldehyde, 3-chloro-4,5-dihydroxy-.

Physical properties about this chemical are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.682; (8)Molar Refractivity: 41.66 cm3; (9)Molar Volume: 109.9 cm3; (10)Polarizability: 16.51×10-24cm3; (11)Surface Tension: 70.2 dyne/cm; (12)Enthalpy of Vaporization: 55.14 kJ/mol; (13)Vapour Pressure: 0.00117 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(O)c1O)C=O
(2)InChI: InChI=1/C7H5ClO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H
(3)InChIKey: RNNPYEYJHJEDLU-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H5ClO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H
(5)Std. InChIKey: RNNPYEYJHJEDLU-UHFFFAOYSA-N