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| CAS No.: | 254762-66-8 |
|---|---|
| Name: | AMINO(2-BROMOPHENYL)ACETIC ACID |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C8H8BrNO2 |
| Molecular Weight: | 230.061 |
| Synonyms: | BIO-FARMA BF000297;ALPHA-AMINO-(2-BROMOBENZENE) ACETIC ACID;AMINO(2-BROMOPHENYL)ACETIC ACID;-Amino-(2-bromobenzene) acetic acid;2-AMino-2-(2-broMophenyl)acetic Acid;2-(2-BroMophenyl)glycine |
| EINECS: | 604-604-1 |
| Density: | 1.673 g/cm3 |
| Melting Point: | 157 °C |
| Boiling Point: | 351 °C at 760 mmHg |
| Flash Point: | 166.1 °C |
| PSA: | 63.32000 |
| LogP: | 2.23380 |
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Specification
This chemical is called Amino(2-bromophenyl)acetic acid, and it can also be named as benzeneacetic acid, α-amino-2-bromo-. With the molecular formula of C8H8BrNO2, its molecular weight is 230.06. The CAS registry number of this chemical is 254762-66-8.
Other characteristics of the Amino(2-bromophenyl)acetic acid can be summarised as followings: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.79; (4)ACD/LogD (pH 7.4): -0.79; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 48.59 cm3; (15)Molar Volume: 137.4 cm3; (16)Polarizability: 19.26×10-24cm3; (17)Surface Tension: 60.7 dyne/cm; (18)Density: 1.673 g/cm3; (19)Flash Point: 166.1 °C; (20)Enthalpy of Vaporization: 62.86 kJ/mol; (21)Boiling Point: 351 °C at 760 mmHg; (22)Vapour Pressure: 1.57E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1ccccc1C(N)C(=O)O
2.InChI: InChI=1/C8H8BrNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
3.InChIKey: PTWAPNNQAOAJDI-UHFFFAOYAG