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CAS No.: | 170879-73-9 |
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Name: | 1,3-BENZENEDICARBOXALDEHYDE, 2-CHLORO- |
Molecular Structure: | |
Formula: | C8H5ClO2 |
Molecular Weight: | 168.58 |
Synonyms: | 2-Chlorobenzene-1,3-dicarboxaldehyde; |
Density: | 1.352 g/cm3 |
Boiling Point: | 277.949 °C at 760 mmHg |
Flash Point: | 115.588 °C |
PSA: | 34.14000 |
LogP: | 1.96500 |
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The 1,3-Benzenedicarboxaldehyde,2-chloro has the CAS registry number 170879-73-9. This chemical's molecular formula is C8H5ClO2 and molecular weight is 168.58. What's more, its systematic name is 2-Chlorobenzene-1,3-dicarbaldehyde.
Physical properties of 1,3-Benzenedicarboxaldehyde,2-chloro- are: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 24; (6)ACD/BCF (pH 7.4): 24; (7)ACD/KOC (pH 5.5): 342; (8)ACD/KOC (pH 7.4): 342; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 44.654 cm3; (15)Molar Volume: 124.716 cm3; (16)Polarizability: 17.702×10-24 cm3; (17)Surface Tension: 50.984 dyne/cm; (18)Density: 1.352 g/cm3; (19)Flash Point: 115.588 °C; (20)Enthalpy of Vaporization: 51.654 kJ/mol; (21)Boiling Point: 277.949 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cccc(C=O)c1Cl
(2)InChI: InChI=1S/C8H5ClO2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-5H
(3)InChIKey: FCORNWNKZWNPOX-UHFFFAOYSA-N