5-AMINO-2-BROMOBENZOIC ACID

The Benzoic acid,5-amino-2-bromo-, with the CAS registry number 2840-02-0, is also known as 5-Amino-2-bromobenzoicacid. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Phenylacetic acid; Aromatic Amino Acids Carbonyl Compounds; C₇; Carboxylic Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. This chemical's molecular formula is C₇H₆BrNO₂ and formula weight is 216.03. What's more, its systematic name is 5-amino-2-bromobenzoic acid.

Physical properties of Benzoic acid,5-amino-2-bromo- are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.98; (4)ACD/LogD (pH 7.4): -1.74; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.54 Å²; (11)Index of Refraction: 1.672; (12)Molar Refractivity: 45.1 cm³; (13)Molar Volume: 120.4 cm³; (14)Surface Tension: 67.9 dyne/cm; (15)Density: 1.793 g/cm³; (16)Flash Point: 175.2 °C; (17)Enthalpy of Vaporization: 64.63 kJ/mol; (18)Boiling Point: 366.2 °C at 760 mmHg; (19)Vapour Pressure: 5.26E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(ccc1Br)N
(2)InChI: InChI=1S/C7H6BrNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H,10,11)
(3)InChIKey: FEXDUVBQBNYSQV-UHFFFAOYSA-N