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| CAS No.: | 474710-80-0 |
|---|---|
| Name: | 4-Quinazolinecarboxylic acid, 6-bromo-, ammonium salt |
| Article Data: | 1 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C9H8BrN3O2 |
| Molecular Weight: | 270.08 |
| Synonyms: | Ammonium 6-bromoquinazoline-4-carboxylate;4-Quinazolinecarboxylic acid,6-bromo-,ammonium salt; |
| Density: | 1.824g/cm3 |
| Boiling Point: | 497.1 °C at 760 mmHg |
| Flash Point: | 254.4 °C |
| PSA: | 66.32000 |
| LogP: | 2.41440 |
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Specification
The 6-Bromo-4-quinazolinecarboxylic acid ammonium salt, with the CAS registry number 474710-80-0, is also known as Ammonium 6-bromoquinazoline-4-carboxylate and 4-Quinazolinecarboxylic acid, 6-bromo-, ammonium salt. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C9H8BrN3O2 and molecular weight is 270.08. What's more, its systematic name is called Ammonium 6-bromoquinazoline-4-carboxylate.
Physical properties about 6-Bromo-4-quinazolinecarboxylic acid ammonium salt are: (1) #H bond acceptors: 5; (2) #H bond donors: 4; (3) #Freely Rotating Bonds: 1; (4) Polar Surface Area: 65.91 Å2; (5) Flash Point: 254.4 °C; (6) Enthalpy of Vaporization: 80.56 kJ/mol; (7) Boiling Point: 497.1 °C at 760 mmHg; (8) Vapour Pressure: 1.06E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [NH4+].[O-]C(=O)c2ncnc1ccc(Br)cc12
(2) InChI: InChI=1/C9H5BrN2O2.H3N/c10-5-1-2-7-6(3-5)8(9(13)14)12-4-11-7;/h1-4H,(H,13,14);1H3
(3) InChIKey: PUZDCVNKSLYUFD-UHFFFAOYAT