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Name	5-Bromo-7H-pyrrolo[2,3-d]pyrimidine	EINECS	N/A
CAS No.	175791-49-8	Density	1.895 g/cm³
PSA	41.57000	LogP	1.72040
Solubility	N/A	Melting Point	N/A
Formula	C₆H₄BrN₃	Boiling Point	241.0±50.0 °C(Predicted)
Molecular Weight	198.022	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	1H-Pyrrolo[2,3-d]pyrimidine,5-bromo- (9CI);	Article Data	9

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

The cas register number of 5-Bromo-7H-pyrrolo[2,3-d]pyrimidine is 175791-49-8. It also can be called as 7H-Pyrrolo[2,3-d]pyrimidine,5-bromo- and the Systematic name about this chemical is 5-bromo-7H-pyrrolo[2,3-d]pyrimidine. It belongs to the Chiral chemicals.

Physical properties about 5-Bromo-7H-pyrrolo[2,3-d]pyrimidine are: (1)ACD/LogP: 1.44; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 37; (5)ACD/KOC (pH 7.4): 37; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)Polar Surface Area: 41.57Å²; (9)Index of Refraction: 1.746; (10)Molar Refractivity: 42.401 cm³; (11)Molar Volume: 104.504 cm³; (12)Polarizability: 16.809x10^-24cm³; (13)Surface Tension: 76.935 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2c1cncnc1nc2
(2)InChI: InChI=1/C6H4BrN3/c7-5-2-9-6-4(5)1-8-3-10-6/h1-3H,(H,8,9,10)
(3)InChIKey: CMXNUWNEWCACQH-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C6H4BrN3/c7-5-2-9-6-4(5)1-8-3-10-6/h1-3H,(H,8,9,10)
(5)Std. InChIKey: CMXNUWNEWCACQH-UHFFFAOYSA-N

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