Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine |
EINECS | N/A |
CAS No. | 784150-41-0 | Density | 1.996 g/cm3 |
PSA | 41.57000 | LogP | 2.37380 |
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 |
1H-Pyrrolo[2,3-d]pyrimidine,6-bromo-4-chloro- (9CI);7H-pyrrolo[2,3-d]pyrimidine, 6-bromo-4-chloro-;6-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine; |
Article Data | 3 |
The 6-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine, with the CAS registry number 784150-41-0, is also called 7H-pyrrolo[2,3-d]pyrimidine, 6-bromo-4-chloro-. It belongs to the product category of Chiral Chemicals. And the molecular formula of the chemical is C6H3BrClN3.
The characteristics of 6-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine are as followings: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): 1.14; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 41.57 Å2; (9)Index of Refraction: 1.746; (10)Molar Refractivity: 47.29 cm3; (11)Molar Volume: 116.4 cm3; (12)Polarizability: 18.74×10-24cm3; (13)Surface Tension: 77.3 dyne/cm; (14)Density: 1.996 g/cm3.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c2c([nH]c1Br)ncnc2Cl
(2)InChI: InChI=1/C6H3BrClN3/c7-4-1-3-5(8)9-2-10-6(3)11-4/h1-2H,(H,9,10,11)
(3)InChIKey: NJPXMLQSSKQIJH-UHFFFAOYAG