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Cas Database

Name	2,4-Dichloro-5H-pyrrolo[3,2-d]pyrimidine	EINECS	810-549-5
CAS No.	63200-54-4	Density	1.675 g/cm³
PSA	41.57000	LogP	2.26470
Solubility	N/A	Melting Point	226-228 °C(Solv: water (7732-18-5); methanol (67-56-1))
Formula	C₆H₃Cl₂N₃	Boiling Point	306.2±24.0 °C(Predicted)
Molecular Weight	188.016	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine;	Article Data	14

2,4-Dichloro-5H-pyrrolo[3,2-d]pyrimidine Specification

The 2,4-Dichloro-5H-pyrrolo[3,2-d]pyrimidine, with the CAS registry number 63200-54-4, is also known as 5H-Pyrrolo[3,2-d]pyrimidine, 2,4-dichloro-. It belongs to the product categories of Heterocycles; Chiral Chemicals. This chemical's molecular formula is C₆H₃Cl₂N₃ and molecular weight is 188.01. Its IUPAC name is called 2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine.

Physical properties of 2,4-Dichloro-5H-pyrrolo[3,2-d]pyrimidine: (1)ACD/LogP: 2.36; (2)ACD/LogD (pH 5.5): 2.36; (3)ACD/LogD (pH 7.4): 2.36; (4)ACD/BCF (pH 5.5): 36.628; (5)ACD/BCF (pH 7.4): 36.619; (6)ACD/KOC (pH 5.5): 458.101; (7)ACD/KOC (pH 7.4): 457.985; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.724; (11)Molar Refractivity: 44.501 cm³; (12)Molar Volume: 112.221 cm³; (13)Surface Tension: 75.454 dyne/cm; (14)Density: 1.675 g/cm³.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CNC2=C1N=C(N=C2Cl)Cl
(2)InChI: InChI=1S/C6H3Cl2N3/c7-5-4-3(1-2-9-4)10-6(8)11-5/h1-2,9H
(3)InChIKey: MVTLFDKTYGKJEX-UHFFFAOYSA-N

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