Product Name

  • Name

    2-fluoro-5H-pyrrolo[3,2-b]pyrazine-6-carboxylic acid

  • EINECS
  • CAS No. 1016241-84-1
  • Density 1.724 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H4FN3O2
  • Boiling Point
  • Molecular Weight 181.12
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 1016241-84-1 (2-fluoro-5H-pyrrolo[3,2-b]pyrazine-6-carboxylic acid)
  • Hazard Symbols
  • Synonyms 2-Fluoro-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid;
  • PSA 78.87000
  • LogP 0.79520

2-Fluoro-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid Specification

The 2-Fluoro-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid with the CAS number 1016241-84-1 is also called 5H-Pyrrolo[2,3-b]pyrazine-6-carboxylicacid, 2-fluoro-. Its molecular formula is C7H4FN3O2. The product category is chiral chemicals. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 78.87 Å2; (10)Index of Refraction: 1.723; (11)Molar Refractivity: 41.635 cm3; (12)Molar Volume: 105.058 cm3; (13)Polarizability: 16.505×10-24cm3; (14)Surface Tension: 95.311 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c2c([nH]c1C(=O)O)ncc(n2)F
(2)InChI: InChI=1/C7H4FN3O2/c8-5-2-9-6-3(10-5)1-4(11-6)7(12)13/h1-2H,(H,9,11)(H,12,13)
(3)InChIKey: KNVLQSINHMBKCE-UHFFFAOYAP

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