Basic information
- CAS
1034154-17-0- Standard SMILES
CC(=O)n1ncc2cc(I)c(C)cc21- InChIKey
YHNHWOMDRHFQBO-UHFFFAOYSA-N- Molecular formula
- C10H9IN2O
- Average molar mass
- 300.1 g/mol
- Monoisotopic mass
- 299.97596091
Names & identifiers
- Preferred name
- 1-Acetyl-5-iodo-6-methylindazole
- IUPAC
- 1-(5-iodo-6-methylindazol-1-yl)ethanone
- English name
- Ethanone, 1-(5-iodo-6-methyl-1H-indazol-1-yl)-
- Molecular formula
- C10H9IN2O
- Molecular weight
- 300.1
Names & synonyms
1034154-17-01-(5-Iodo-6-methyl-1H-indazol-1-yl)ethanone1-Acetyl-5-iodo-6-methylindazoleSCHEMBL836744YHNHWOMDRHFQBO-UHFFFAOYSA-NDTXSID4012614371-(5-Iodo-6-methyl-1H-indazol-1-yl)ethan-1-oneEthanone, 1-(5-iodo-6-methyl-1H-indazol-1-yl)-
Database identifiers
- CAS
1034154-17-0- PubChem CID
- 59339735
- DTXSID
DTXSID401261437
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 397.3 · 397.3±34.0 °C(Predicted)
- Density
- 1.81 · 1.81±0.1 g/cm3(Predicted)
- pka
- -2.33 · -2.33±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
5 records
Compound notes
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