Basic information
- CAS
115310-16-2- Standard SMILES
O=C1CCCc2c1cnn2Cc1ccccc1- InChIKey
KZRACVAICNSDTK-UHFFFAOYSA-N- Molecular formula
- C14H14N2O
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.11061307
Names & identifiers
- Preferred name
- 1-benzyl-1,5,6,7-tetrahydro-4H-indazol-4-one
- IUPAC
- 1-benzyl-6,7-dihydro-5H-indazol-4-one
- English name
- 1-benzyl-6,7-dihydro-1H-indazol-4(5H)-one
- Molecular formula
- C14H14N2O
- Molecular weight
- 226.27
Names & synonyms
115310-16-21-benzyl-6,7-dihydro-1H-indazol-4(5H)-one1-benzyl-1,5,6,7-tetrahydro-4H-indazol-4-one1-benzyl-6,7-dihydro-5H-indazol-4-one1-benzyl-4,5,6,7-tetrahydro-1H-indazol-4-oneSCHEMBL6663384CHEMBL5087674DTXSID40406229KZRACVAICNSDTK-UHFFFAOYSA-NAKOS002664391DB-2503191,5,6,7-tetrahydro-1-(phenylmethyl)indazol-4-one
Show more names
4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-(phenylmethyl)-
Database identifiers
- CAS
115310-16-2- PubChem CID
- 4738558
- DTXSID
DTXSID40406229- ChEMBL
CHEMBL5087674
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
5 records
Compound notes
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