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Basic Information
CAS No.: 1053228-28-6
Name: 2,4,5-Trichloro-7H-pyrrolo[2,3-d]pyrimidine
Article Data: 13
Molecular Structure:
Molecular Structure of 1053228-28-6 (2,4,5-Trichloro-7H-pyrrolo[2,3-d]pyrimidine)
Formula: C6H2Cl3N3
Molecular Weight: 222.461
Synonyms: 7H-Pyrrolo[2,3-d]pyrimidine, 2,4,5-trichloro-;
EINECS: 200-589-5
Density: 1.792 g/cm3
PSA: 41.57000
LogP: 2.91810
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Specification

The systematic name and product name of this chemical are the same which is called 2,4,5-Trichloro-7H-pyrrolo[2,3-d]pyrimidine. With the CAS registry number 1053228-28-6, it is also known as 7H-Pyrrolo[2,3-d]pyrimidine, 2,4,5-trichloro-. This chemical's molecular formula is C6H2Cl3N3 and molecular weight is 222.45918.

Physical properties of 2,4,5-Trichloro-7H-pyrrolo[2,3-d]pyrimidine: (1)ACD/LogP: 3.05; (2)ACD/LogD (pH 5.5): 3.049; (3)ACD/LogD (pH 7.4): 3.028; (4)ACD/BCF (pH 5.5): 122.279; (5)ACD/BCF (pH 7.4): 116.511; (6)ACD/KOC (pH 5.5): 1085.561; (7)ACD/KOC (pH 7.4): 1034.355; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.727; (11)Molar Refractivity: 49.396 cm3; (12)Molar Volume: 124.171 cm3; (13)Surface Tension: 75.988 dyne/cm; (14)Density: 1.792 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c2c([nH]1)nc(nc2Cl)Cl)Cl
(2)InChI: InChI=1/C6H2Cl3N3/c7-2-1-10-5-3(2)4(8)11-6(9)12-5/h1H,(H,10,11,12)
(3)InChIKey: YUKWSCQSOXCSES-UHFFFAOYAW