2-Chloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine supplier

Name
2-Chloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine
EINECS
CAS No. 1152475-50-7
Density 2.284 g/cm³
Solubility
Melting Point
Formula C₆H₃ClIN₃
Boiling Point
Molecular Weight 279.467
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine;5H-Pyrrolo[3,2-d]pyrimidine, 2-chloro-7-iodo-;2-Chloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine ISO 9001：2015 REACH
PSA 41.57000
LogP 2.21590

2-Chloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine Specification

The 2-Chloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine, with its CAS registry number 1152475-50-7, could also be called as 5H-pyrrolo[3,2-d]pyrimidine, 2-chloro-7-iodo-. Besides, this chemical has the molecular foumula of C₆H₃ClIN₃.

The characteristics of 2-Chloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine are as follows: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.762; (4)ACD/LogD (pH 7.4): 2.762; (5)ACD/BCF (pH 5.5): 74.015; (6)ACD/BCF (pH 7.4): 74.031; (7)ACD/KOC (pH 5.5): 757.859; (8)ACD/KOC (pH 7.4): 758.024; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.57 Å²; (13)Index of Refraction: 1.804; (14)Molar Refractivity: 52.513 cm³; (15)Molar Volume: 122.343 cm³; (16)Polarizability: 20.818×10^-24cm³; (17)Surface Tension: 84.094 dyne/cm; (18)Density: 2.284 g/cm³.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:c1c(c2c([nH]1)cnc(n2)Cl)I
(2)InChI:InChI=1/C6H3ClIN3/c7-6-10-2-4-5(11-6)3(8)1-9-4/h1-2,9H
(3)InChIKey:INKBZIDRWUSKPM-UHFFFAOYAF
(4)Std. InChI:InChI=1S/C6H3ClIN3/c7-6-10-2-4-5(11-6)3(8)1-9-4/h1-2,9H
(5)Std. InChIKey:INKBZIDRWUSKPM-UHFFFAOYSA-N

Product Name

2-Chloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine

2-Chloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine Specification

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