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Basic Information
CAS No.: 928840-99-7
Name: 2,4-Dichloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine
Article Data: 5
Molecular Structure:
Molecular Structure of 928840-99-7 (2,4-Dichloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine)
Formula: C6H2Cl2IN3
Molecular Weight: 313.912
Synonyms: 5H-Pyrrolo[3,2-d]pyrimidine, 2,4-dichloro-7-iodo-;
Density: 2.337 g/cm3
PSA: 41.57000
LogP: 2.86930
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Specification

The 2,4-Dichloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine, with the CAS registry number 928840-99-7, is also known as 5H-Pyrrolo[3,2-d]pyrimidine, 2,4-dichloro-7-iodo-. This chemical's molecular formula is C6H2Cl2IN3 and molecular weight is 313.9106. Its IUPAC name is called 2,4-dichloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine.

Physical properties of 2,4-Dichloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine: (1)ACD/LogP: 3.17; (2)ACD/LogD (pH 5.5): 3.169; (3)ACD/LogD (pH 7.4): 3.162; (4)ACD/BCF (pH 5.5): 150.927; (5)ACD/BCF (pH 7.4): 148.463; (6)ACD/KOC (pH 5.5): 1262.232; (7)ACD/KOC (pH 7.4): 1241.624; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.8; (11)Molar Refractivity: 57.408 cm3; (12)Molar Volume: 134.293 cm3; (13)Surface Tension: 83.829 dyne/cm; (14)Density: 2.337 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c2c([nH]1)c(nc(n2)Cl)Cl)I
(2)InChI: InChI=1/C6H2Cl2IN3/c7-5-4-3(2(9)1-10-4)11-6(8)12-5/h1,10H
(3)InChIKey: RDDFXIAEFUSRKU-UHFFFAOYAG