Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Bromo-5-chloropyrazolo[1,5-a]pyrimidine |
EINECS | N/A |
CAS No. | 960613-96-1 | Density | 2.038 g/cm3 |
PSA | 30.19000 | LogP | 2.14520 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H3BrClN3 | Boiling Point | N/A |
Molecular Weight | 232.467 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-bromo-5-chloropyrazolo[1,5-a]pyrimidine |
Article Data | 7 |
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