1H-Indazole-3-acetic acid, 4,5,6,7-tetrahydro-1-(p-chlorophenyl)-
Basic information
- CAS
21484-55-9- Standard SMILES
O=C(O)Cc1nn(-c2ccc(Cl)cc2)c2c1CCCC2- InChIKey
YVTNFQHZTOHJQS-UHFFFAOYSA-N- Molecular formula
- C15H15ClN2O2
- Average molar mass
- 290.74 g/mol
- Monoisotopic mass
- 290.0822054
Names & identifiers
- Preferred name
- 1H-Indazole-3-acetic acid, 4,5,6,7-tetrahydro-1-(p-chlorophenyl)-
- IUPAC
- 2-[1-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]acetic acid
Names & synonyms
Poli 601H-Indazole-3-acetic acid, 4,5,6,7-tetrahydro-1-(p-chlorophenyl)-BRN 0552657DTXSID4017578121484-55-94,5,6,7-Tetrahydro-1-(p-chlorophenyl)-1H-indazole-3-acetic acid5-25-04-00222 (Beilstein Handbook Reference)RefChem:238391DTXCID9098272[1-(4-chlorophenyl)-4,5,6,7-tetrahydro-1h-indazol-3-yl]acetic acid
Database identifiers
- CAS
21484-55-9- PubChem CID
- 210674
- DTXSID
DTXSID40175781
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
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Compound notes
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