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CAS No.: | 1092352-49-2 |
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Name: | 4-CHLORO-2-(METHYLTHIO)-7H-PYRROLO[2,3-D]PYRIMIDINE |
Molecular Structure: | |
Formula: | C6H5ClN4 |
Molecular Weight: | 168.58 |
Synonyms: | 7H-Pyrrolo[2,3-d]pyrimidin-5-amine, 4-chloro-; |
Density: | 1.644 g/cm3 |
Boiling Point: | 429.958 °C at 760 mmHg |
Flash Point: | 213.831 °C |
PSA: | 67.59000 |
LogP: | 1.77470 |
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The 4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-5-amine, with the CAS registry number 1092352-49-2, is also known as 7H-Pyrrolo[2,3-d]pyrimidin-5-amine, 4-chloro-. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C6H5ClN4 and molecular weight is 168.58.
Physical properties of 4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-5-amine are: (1)ACD/LogP: 0.30; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 8; (5)#H bond acceptors: 4; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 67.59 Å2; (9)Index of Refraction: 1.8; (10)Molar Refractivity: 43.842 cm3; (11)Molar Volume: 102.55 cm3; (12)Surface Tension: 95.653 dyne/cm; (13)Density: 1.644 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ncnc1ncc(N)c12
(2)InChI: InChI=1S/C6H5ClN4/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,8H2,(H,9,10,11)
(3)InChIKey: KAUCHHKKEDFVMC-UHFFFAOYSA-N