Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Pyrrole-2-carboxamide,5-bromo- |
EINECS | N/A |
CAS No. | 17543-94-1 | Density | 1.841 g/cm3 |
PSA | 58.88000 | LogP | 1.57640 |
Solubility | N/A | Melting Point |
136-138 °C |
Formula | C5H5BrN2O | Boiling Point | 370.132 °C at 760 mmHg |
Molecular Weight | 189.011 | Flash Point | 177.65 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:; |
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Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-Bromopyrrole-2-carboamide; |
Article Data | 3 |
The 1H-Pyrrole-2-carboxamide,5-bromo-, with the CAS registry number 17543-94-1, is also known as 5-Bromopyrrole-2-carboamide. It belongs to the product categories of Azoles; Blocks; Bromides; Carboxes. This chemical's molecular formula is C5H5BrN2O and molecular weight is 189.01. What's more, its systematic name is called 5-Bromo-1H-pyrrole-2-carboxamide.
Physical properties about 1H-Pyrrole-2-carboxamide,5-bromo- are: (1)ACD/LogP: 0.97; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 84; (8)ACD/KOC (pH 7.4): 84; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.88 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 37.307 cm3; (15)Molar Volume: 102.642 cm3; (16)Polarizability: 14.789×10-24 cm3; (17)Surface Tension: 65.325 dyne/cm; (18)Density: 1.841 g/cm3; (19)Flash Point: 177.65 °C; (20)Enthalpy of Vaporization: 61.699 kJ/mol; (21)Boiling Point: 370.132 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)c1ccc(Br)n1
(2) InChI: InChI=1/C5H5BrN2O/c6-4-2-1-3(8-4)5(7)9/h1-2,8H,(H2,7,9)
(3) InChIKey: IUCIXLJBQZTUQS-UHFFFAOYAV