1-(4-methoxyphenyl)-6-nitro-1H-indazole-3-carboxylic acid
Basic information
- CAS
857806-89-4- Standard SMILES
COc1ccc(-n2nc(C(=O)O)c3ccc([N+](=O)[O-])cc32)cc1- InChIKey
GSASPBUVPSJLLB-UHFFFAOYSA-N- Molecular formula
- C15H11N3O5
- Average molar mass
- 313.26 g/mol
Names & identifiers
- Preferred name
- 1-(4-methoxyphenyl)-6-nitro-1H-indazole-3-carboxylic acid
- IUPAC
- 1-(4-methoxyphenyl)-6-nitroindazole-3-carboxylic acid
- English name
- 1-(4-Methoxy-phenyl)-6-nitro-1H-indazole-3-carboxylic acid
- Molecular formula
- C15H11N3O5
- Molecular weight
- 313.26
Names & synonyms
1-(4-methoxyphenyl)-6-nitro-1H-indazole-3-carboxylic acid857806-89-41-(4-methoxyphenyl)-6-nitro-1{H}-indazole-3-carboxylic acid1-(4-methoxyphenyl)-6-nitroindazole-3-carboxylic acidMFCD07800304SBB013005STK666338AKOS003393022ST085231CS-03223121-(4-methoxyphenyl)-6-nitro-indazole-3-carboxylic acid1-(4-Methoxy-phenyl)-6-nitro-1H-indazole-3-carboxylic acid
Show more names
1H-Indazole-3-carboxylic acid, 1-(4-methoxyphenyl)-6-nitro-
Database identifiers
- CAS
857806-89-4
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- Boiling point
- 492.9 · 492.9±45.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 2.23 · 2.23±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…