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1053656-45-3

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Basic Information
CAS No.: 1053656-45-3
Name: 1-chloro-7-nitroH-pyrrolo[1,2-a]pyrazine
Molecular Structure:
Molecular Structure of 1053656-45-3 (1-chloro-7-nitroH-pyrrolo[1,2-a]pyrazine)
Formula: C7H4ClN3O2
Molecular Weight: 197.58
Synonyms: 1-Chloro-7-nitro-1H-pyrrolo[1,2-a]pyrazine;
Density: 1.66 g/cm3
PSA: 63.12000
LogP: 2.41910
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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