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960613-96-1

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Basic Information
CAS No.: 960613-96-1
Name: 3-Bromo-5-chloropyrazolo[1,5-a]pyrimidine
Article Data: 7
Molecular Structure:
Molecular Structure of 960613-96-1 (3-Bromo-5-chloropyrazolo[1,5-a]pyrimidine)
Formula: C6H3BrClN3
Molecular Weight: 232.467
Synonyms: 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine
Density: 2.038 g/cm3
PSA: 30.19000
LogP: 2.14520
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Specification

The 3-Bromo-5-chloropyrazolo[1,5-a]pyrimidine is an organic compound with the formula C6H3BrClN3. The IUPAC name of this chemical is 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine. With the CAS registry number 960613-96-1, it is also named as pyrazolo[1,5-a]pyrimidine, 3-bromo-5-chloro-.

Physical properties about 3-Bromo-5-chloropyrazolo[1,5-a]pyrimidine are: (1)ACD/LogP: 1.73; (2)ACD/LogD (pH 5.5): 1.732; (3)ACD/LogD (pH 7.4): 1.732; (4)ACD/BCF (pH 5.5): 12.209; (5)ACD/BCF (pH 7.4): 12.209; (6)ACD/KOC (pH 5.5): 208.668; (7)ACD/KOC (pH 7.4): 208.668; (8)#H bond acceptors: 3; (9)Polar Surface Area: 30.19 Å2; (10)Index of Refraction: 1.768; (11)Molar Refractivity: 47.316 cm3; (12)Molar Volume: 114.091 cm3; (13)Polarizability: 18.757×10-24cm3; (14)Surface Tension: 63.801 dyne/cm; (15)Density: 2.038 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cn2c(c(cn2)Br)nc1Cl
(2)InChI: InChI=1/C6H3BrClN3/c7-4-3-9-11-2-1-5(8)10-6(4)11/h1-3H
(3)InChIKey: IYSBSUPWYUVHKG-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H3BrClN3/c7-4-3-9-11-2-1-5(8)10-6(4)11/h1-3H
(5)Std. InChIKey: IYSBSUPWYUVHKG-UHFFFAOYSA-N