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Basic Information
CAS No.: 1012880-01-1
Name: 4-BroMo-1-cyclopentylpyrazole
Molecular Structure:
Molecular Structure of 1012880-01-1 (4-BroMo-1-cyclopentylpyrazole)
Formula: C8H11BrN2
Molecular Weight: 215.0903
Synonyms: 4-bromo-1-cyclopentyl-1H-pyrazole;
Density: 1.626 g/cm3
Boiling Point: 291.089 °C at 760 mmHg
Flash Point: 129.846 °C
PSA: 17.82000
LogP: 2.76070
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Specification

The 4-Bromo-1-cyclopentyl-1H-pyrazole has CAS registry number 1012880-01-1. Its molecular formula is C8H11BrN2 and molecular weight is 215.0903. What's more, its systematic name is 4-Bromo-1-cyclopentyl-pyrazole.

Physical properties about the 4-Bromo-1-cyclopentyl-1H-pyrazole are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.145; (6)ACD/BCF (pH 7.4): 19.146; (7)ACD/KOC (pH 5.5): 287.942; (8)ACD/KOC (pH 7.4): 287.963; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.661; (14)Molar Refractivity: 48.879 cm3; (15)Molar Volume: 132.247 cm3; (16)Surface Tension: 49.654 dyne/cm; (17)Density: 1.626 g/cm3; (18)Flash Point: 129.846 °C; (19)Enthalpy of Vaporization: 50.924 kJ/mol; (20)Boiling Point: 291.089 °C at 760 mmHg; (21)Vapour Pressure: 0.003 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cn(n1)C2CCCC2)Br
(2) InChI: InChI=1/C8H11BrN2/c9-7-5-10-11(6-7)8-3-1-2-4-8/h5-6,8H,1-4H2
(3) InChIKey: DDMLTVXCHRGCFK-UHFFFAOYAU