methyl 2-(1H-indazole-3-carbonyl)benzoate
Basic information
- CAS
40142-60-7- Standard SMILES
COC(=O)c1ccccc1C(=O)c1n[nH]c2ccccc12- InChIKey
GDGGQCLMOKEIBV-UHFFFAOYSA-N- Molecular formula
- C16H12N2O3
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.08479225
Names & identifiers
- Preferred name
- methyl 2-(1H-indazole-3-carbonyl)benzoate
- IUPAC
- methyl 2-(1H-indazole-3-carbonyl)benzoate
Names & synonyms
methyl 2-(1H-indazole-3-carbonyl)benzoate40142-60-7DTXSID20329987RefChem:353768DTXCID30281082NSC174755NSC-174755
Database identifiers
- CAS
40142-60-7- PubChem CID
- 425528
- DTXSID
DTXSID20329987
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 412
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Compound notes
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