Ethyl 2-methyl-2H-indazole-5-carboxylate
Basic information
- CAS
1334405-45-6- Standard SMILES
CCOC(=O)c1ccc2nn(C)cc2c1- InChIKey
QZLGVHFBMCPMSX-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-methyl-2H-indazole-5-carboxylate
- IUPAC
- ethyl 2-methylindazole-5-carboxylate
- English name
- ethyl 2-methyl-2H-indazole-5-carboxylate
- Molecular formula
- C11H12N2O2
- Molecular weight
- 204.23
Names & synonyms
Ethyl 2-methyl-2H-indazole-5-carboxylate1334405-45-6ethyl 2-methylindazole-5-carboxylateMFCD17214754SCHEMBL3436324SY1283162-Methyl-2H-indazole-5-carboxylic acid ethyl esterEthyl 2-methyl-2,3-dihydro-1H-indazole-5-carboxylate2H-Indazole-5-carboxylic acid, 2-methyl-, ethyl ester
Database identifiers
- CAS
1334405-45-6
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 350.3 · 350.3±15.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 0.01 · 0.01±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…