4,5,6,7-tetrahydro-3-(4-methoxyphenyl)-1H-indazole
Basic information
- CAS
58413-04-0- Standard SMILES
COc1ccc(-c2n[nH]c3c2CCCC3)cc1- InChIKey
SKKOHZJNXZCTFG-UHFFFAOYSA-N- Molecular formula
- C14H16N2O
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.12626314
Names & identifiers
- Preferred name
- 4,5,6,7-tetrahydro-3-(4-methoxyphenyl)-1H-indazole
- IUPAC
- 3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole
- English name
- 4,5,6,7-tetrahydro-3-(4-methoxyphenyl)-1H-indazole
- Molecular formula
- C14H16N2O
- Molecular weight
- 228.29
Names & synonyms
58413-04-04,5,6,7-Tetrahydro-3-(4-methoxyphenyl)-1H-indazoleEINECS 261-241-7RefChem:96394261-241-73-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1h-indazoleDTXSID40973966SKKOHZJNXZCTFG-UHFFFAOYSA-NDB-294912NS000526901H-Indazole, 4,5,6,7-tetrahydro-3-(4-methoxyphenyl)-
Database identifiers
- CAS
58413-04-0- PubChem CID
- 94040
- DTXSID
DTXSID40973966- EC Number
- 261-241-7
- Nikkaji
- J296.929G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
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Compound notes
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