Basic information
- CAS
885271-28-3- Standard SMILES
O=Cc1[nH]nc2ccc(OCc3ccccc3)cc12- InChIKey
LSVWVZRXSDJJFU-UHFFFAOYSA-N- Molecular formula
- C15H12N2O2
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.08987763
Names & identifiers
- Preferred name
- 5-Benzyloxy-1H-indazole-3-carbaldehyde
- IUPAC
- 5-phenylmethoxy-2H-indazole-3-carbaldehyde
- English name
- 5-BENZYLOXY-1H-INDAZOLE-3-CARBALDEHYDE
- Molecular formula
- C15H12N2O2
- Molecular weight
- 252.27
Names & synonyms
885271-28-35-BENZYLOXY-1H-INDAZOLE-3-CARBALDEHYDE5-(Benzyloxy)-1H-indazole-3-carbaldehydeMFCD067391325-phenylmethoxy-2H-indazole-3-carbaldehydeSCHEMBL25278552DTXSID70693044AKOS016013418AB28671SY495547DB-0773785-(BENZYLOXY)-2H-INDAZOLE-3-CARBALDEHYDE
Show more names
1H-Indazole-3-carboxaldehyde, 5-(phenylmethoxy)-
Database identifiers
- CAS
885271-28-3- PubChem CID
- 53249804
- DTXSID
DTXSID70693044
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 485.9 · 485.9±30.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 11.56 · 11.56±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers8 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
上海智乾生物科技有限公司[email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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