METHYL 2-HYDROXY-3-NITROBENZOATE

The Benzoic acid,2-hydroxy-3-nitro-, methyl ester, with the CAS registry number of 22621-41-6, is also known as Salicylic acid, 3-nitro-, methyl ester. It belongs to the product categories of Aromatic Esters; Esters; Phenyls & Phenyl-He. This chemical's molecular formula is C₈H₇NO₅ and molecular weight is 197.14. What's more, its systematic name is Methyl 2-hydroxy-3-nitrobenzoate. This chemical is used as drug intermediates. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the Benzoic acid,2-hydroxy-3-nitro-, methyl ester are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 34.69; (6)ACD/BCF (pH 7.4): 8.03; (7)ACD/KOC (pH 5.5): 435.22; (8)ACD/KOC (pH 7.4): 100.72; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 81.35 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 46.45 cm³; (15)Molar Volume: 137.5 cm³; (16)Surface Tension: 59.7 dyne/cm; (17)Density: 1.432 g/cm³; (18)Flash Point: 113.4 °C; (19)Enthalpy of Vaporization: 52.2 kJ/mol; (20)Boiling Point: 263.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00612 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. It is harmful if swallowed. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cccc(C(=O)OC)c1O
(2) InChI: InChI=1/C8H7NO5/c1-14-8(11)5-3-2-4-6(7(5)10)9(12)13/h2-4,10H,1H3
(3) InChIKey: NIBVYEHAFBEVFI-UHFFFAOYAF