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1H-Pyrazole-5-carboxylicacid, 4-chloro-1-methyl-3-propyl- (128537-49-5)

Identification
Name:1H-Pyrazole-5-carboxylicacid, 4-chloro-1-methyl-3-propyl-
Synonyms:4-CHLORO-1-METHYL-3-PROPYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
CAS:128537-49-5
Molecular Formula: C8H11 Cl N2 O2
Molecular Weight: 202.64
InChI: InChI=1/C8H11ClN2O2/c1-3-4-5-6(9)7(8(12)13)11(2)10-5/h3-4H2,1-2H3,(H,12,13)
Molecular Structure: (C8H11ClN2O2) 4-CHLORO-1-METHYL-3-PROPYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
Properties
Density:1.34 g/cm3
Refractive index:1.576
Specification:

The 4-Chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid, with the CAS registry number 128537-49-5, belongs to the product category of Heterocycle. This chemical's molecular formula is C8H11ClN2O2 and molecular weight is 202.64. Its systematic name is called 1H-pyrazole-5-carboxylic acid, 4-chloro-1-methyl-3-propyl-.

Physical properties of 4-Chloro-1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid: (1)ACD/LogP: 1.51; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 55.12 Å2; (10)Index of Refraction: 1.576; (11)Molar Refractivity: 49.8 cm3; (12)Molar Volume: 150.4 cm3; (13)Surface Tension: 43.9 dyne/cm; (14)Density: 1.34 g/cm3; (15)Flash Point: 165.1 °C; (16)Enthalpy of Vaporization: 62.67 kJ/mol; (17)Boiling Point: 349.3 °C at 760 mmHg; (18)Vapour Pressure: 1.77E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCc1c(c(n(n1)C)C(=O)O)Cl
(2)InChI: InChI=1/C8H11ClN2O2/c1-3-4-5-6(9)7(8(12)13)11(2)10-5/h3-4H2,1-2H3,(H,12,13)
(3)InChIKey: QCASQFHYPGEADG-UHFFFAOYAV

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