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CAS No.: | 1186049-67-1 |
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Name: | 5-Chloro-1H-pyrazole-4-carboxylic acid |
Molecular Structure: | |
Formula: | C4H3ClN2O2 |
Molecular Weight: | 146.5318 |
Synonyms: | 5-chloro-1H-pyrazole-4-carboxylic acid |
EINECS: | 604-604-1 |
Density: | 1.715 g/cm3 |
Boiling Point: | 436.168 °C at 760 mmHg |
Flash Point: | 217.587 °C |
PSA: | 65.98000 |
LogP: | 0.76130 |
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The 5-Chloro-1H-pyrazole-4-carboxylic acid has CAS registry number 1186049-67-1. This chemical's molecular formula is C4H3ClN2O2 and molecular weight is 146.5318. What's more, its systematic name is called 5-Chloro-1H-pyrazole-4-carboxylic acid.
Physical properties about 5-Chloro-1H-pyrazole-4-carboxylic acid are: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 65.98 Å2; (11)Index of Refraction: 1.635; (12)Molar Refractivity: 30.602 cm3; (13)Molar Volume: 85.46 cm3; (14)Surface Tension: 84.393 dyne/cm; (15)Density: 1.715 g/cm3; (16)Flash Point: 217.587 °C; (17)Enthalpy of Vaporization: 72.999 kJ/mol; (18)Boiling Point: 436.168 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1cnnc1Cl
(2) InChI: InChI=1/C4H3ClN2O2/c5-3-2(4(8)9)1-6-7-3/h1H,(H,6,7)(H,8,9)
(3) InChIKey: AOFKZNFCUHQSLA-UHFFFAOYAJ