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1-Chloro-7-nitropyrrolo[1,2-a]pyrazine

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Name

1-Chloro-7-nitropyrrolo[1,2-a]pyrazine

EINECS N/A
CAS No. 1053656-45-3 Density 1.66 g/cm3
PSA 63.12000 LogP 2.41910
Solubility N/A Melting Point N/A
Formula C7H4ClN3O2 Boiling Point N/A
Molecular Weight 197.58 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1053656-45-3 (1-chloro-7-nitroH-pyrrolo[1,2-a]pyrazine) Hazard Symbols N/A
Synonyms

1-Chloro-7-nitro-1H-pyrrolo[1,2-a]pyrazine;

 

1-Chloro-7-nitropyrrolo[1,2-a]pyrazine Specification

The 1-Chloro-7-nitropyrrolo[1,2-a]pyrazine, with CAS registry number 1053656-45-3, has the systematic name of 1-chloro-7-nitro-pyrrolo[1,2-a]pyrazine. Besides this, it is also called Pyrrolo[1,2-a]pyrazine, 1-chloro-7-nitro-. Its molecular weight is 197.58. And the chemical formula of this chemical is C7H4ClN3O2.

Physical properties of 1-Chloro-7-nitropyrrolo[1,2-a]pyrazine: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.4; (4)ACD/LogD (pH 7.4): 1.4; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 63.12 Å2; (9)Index of Refraction: 1.724; (10)Molar Refractivity: 46.97 cm3; (11)Molar Volume: 118.3 cm3; (12)Polarizability: 18.62×10-24cm3; (13)Surface Tension: 70.6 dyne/cm; (14)Density: 1.66 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cn2ccnc(Cl)c2c1
(2)InChI: InChI=1/C7H4ClN3O2/c8-7-6-3-5(11(12)13)4-10(6)2-1-9-7/h1-4H
(3)InChIKey: OTWHUHVUMPHTOY-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H4ClN3O2/c8-7-6-3-5(11(12)13)4-10(6)2-1-9-7/h1-4H
(5)Std. InChIKey: OTWHUHVUMPHTOY-UHFFFAOYSA-N

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