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| CAS No.: | 206548-13-2 |
|---|---|
| Name: | 2-Amino-5-bromo-3-methylbenzoic acid |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C8H8BrNO2 |
| Molecular Weight: | 230.061 |
| Synonyms: | 2-Amino-5-bromo-3-methylbenzoic acid;5-Bromo-3-methylanthranilic acid; |
| Density: | 1.683 g/cm3 |
| Melting Point: | 236-238 °C |
| Boiling Point: | 347.859 °C at 760 mmHg |
| Flash Point: | 164.18 °C |
| PSA: | 63.32000 |
| LogP: | 2.61910 |
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Specification
The 2-Amino-5-bromo-3-methylbenzoic acid, with the CAS registry number 206548-13-2, is also known as 5-Bromo-3-methylanthranilic acid. This chemical's molecular formula is C8H8BrNO2 and molecular weight is 230.06. What's more, its systematic name is 2-amino-5-bromo-3-methylbenzoic acid.
Physical properties of 2-Amino-5-bromo-3-methylbenzoic acid are: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 46; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 63.32 Å2; (12)Index of Refraction: 1.651; (13)Molar Refractivity: 49.934 cm3; (14)Molar Volume: 136.703 cm3; (15)Polarizability: 19.795×10-24cm3; (16)Surface Tension: 61.856 dyne/cm; (17)Density: 1.683 g/cm3; (18)Flash Point: 164.18 °C; (19)Enthalpy of Vaporization: 62.494 kJ/mol; (20)Boiling Point: 347.859 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(N)c(c1)C)C(=O)O
(2)InChI: InChI=1S/C8H8BrNO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)
(3)InChIKey: RWLPKYJTGUCBQH-UHFFFAOYSA-N