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CAS No.: | 79422-73-4 |
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Name: | 2-AMINO-2-(3-BROMOPHENYL)ACETIC ACID |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H8BrNO2 |
Molecular Weight: | 230.061 |
Synonyms: | Amino-(3-bromo-phenyl)-acetic acid; |
Density: | 1.673 g/cm3 |
Melting Point: | 212-215 °C |
Boiling Point: | 351.6 °C at 760 mmHg |
Flash Point: | 166.4 °C |
PSA: | 63.32000 |
LogP: | 2.23380 |
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The Benzeneacetic acid, a-amino-3-bromo-, with the CAS registry number of 79422-73-4, is also known as Amino-(3-bromo-phenyl)-acetic acid. It belongs to the product category of pharmacetical. This chemical's molecular formula is C8H8BrNO2 and molecular weight is 230.06. What's more, its IUPAC name is 2-Amino-2-(3-bromophenyl)acetic acid. Its systematic name is called Amino(3-bromophenyl)acetic acid.
Physical properties about the Benzeneacetic acid, a-amino-3-bromo- are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.624; (12)Molar Refractivity: 48.59 cm3; (13)Molar Volume: 137.4 cm3; (14)Surface Tension: 60.7 dyne/cm; (15)Density: 1.673 g/cm3; (16)Flash Point: 166.4 °C; (17)Enthalpy of Vaporization: 62.92 kJ/mol; (18)Boiling Point: 351.6 °C at 760 mmHg; (19)Vapour Pressure: 1.51E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES:Brc1cc(ccc1)C(N)C(=O)O
(2) InChI:InChI=1/C8H8BrNO2/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
(3) InChIKey:MJPMYLPJAVQUQA-UHFFFAOYAR