5-Benzyloxy-1H-indazole-3-carboxylic acid supplier

Name
5-Benzyloxy-1H-indazole-3-carboxylic acid
EINECS
CAS No. 177941-16-1
Density 1.395 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₂N₂O₃
Boiling Point 544.727 °C at 760 mmHg
Molecular Weight 268.272
Flash Point 283.241 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Indazole-3-carboxylic acid,5-(phenylmethoxy); 1H-5-benzyloxyindazole-3-carboxylic acid; 5-benzyloxy-1H-indole-3-carboxylicacid; 5-Benzyloxy (1H)indazole-3-carboxylic acid;
PSA 75.21000
LogP 2.84010

5-Benzyloxy-1H-indazole-3-carboxylic acid Specification

The cas register number of 5-Benzyloxy-1H-indazole-3-carboxylic acid is 370866-00-5. It also can be called as 1H-indazole-3-carboxylic acid, 5-(phenylmethoxy)- and the Systematic name about this chemical is 5-phenylmethoxy-1H-indazole-3-carboxylic acid.

Physical properties about 5-Benzyloxy-1H-indazole-3-carboxylic acid are: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 75.21Å²; (13)Index of Refraction: 1.705; (14)Molar Refractivity: 74.716 cm³; (15)Molar Volume: 192.329 cm³; (16)Surface Tension: 69.743 dyne/cm; (17)Density: 1.395 g/cm³; (18)Flash Point: 283.241 °C; (19)Enthalpy of Vaporization: 86.655 kJ/mol; (20)Boiling Point: 544.727 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: c1ccc(cc1)COc2ccc3c(c2)c(n[nH]3)C(=O)O
2.InChI: InChI=1/C15H12N2O3/c18-15(19)14-12-8-11(6-7-13(12)16-17-14)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)(H,18,19)
3.InChIKey: NQAATCGJMPDXHK-UHFFFAOYAU
4.Std. InChI: InChI=1S/C15H12N2O3/c18-15(19)14-12-8-11(6-7-13(12)16-17-14)20-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)(H,18,19)

Product Name

5-Benzyloxy-1H-indazole-3-carboxylic acid

5-Benzyloxy-1H-indazole-3-carboxylic acid Specification

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