Basic information
- CAS
101832-10-4- Standard SMILES
O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)C(F)(F)F- InChIKey
PUZBKXUISZMSFP-UHFFFAOYSA-N- Molecular formula
- C10H5F3N2O3
- Average molar mass
- 258.15 g/mol
- Monoisotopic mass
- 258.02522651
Names & identifiers
- Preferred name
- Indole, 5-nitro-3-(trifluoroacetyl)-
- IUPAC
- 2,2,2-trifluoro-1-(5-nitro-1H-indol-3-yl)ethanone
- English name
- 2,2,2-Trifluoro-1-(5-nitro-3-indolyl)ethanone
- Molecular formula
- C10H5F3N2O3
- Molecular weight
- 258.15
Names & synonyms
101832-10-4INDOLE, 5-NITRO-3-(TRIFLUOROACETYL)-5-Nitro-3-trifluoroacetyl indoleDTXSID80144239RefChem:349285DTXCID10667302,2,2-Trifluoro-1-(5-nitro-3-indolyl)ethanone2,2,2-trifluoro-1-(5-nitro-1H-indol-3-yl)ethanoneMFCD01718619Ethanone, 2,2,2-trifluoro-1-(5-nitro-1H-indol-3-yl)-2,2,2-Trifluoro-1-(5-nitro-1H-indol-3-yl)ethan-1-oneSCHEMBL2840984
Show more names
PUZBKXUISZMSFP-UHFFFAOYSA-NETHANONE,2,2,2-TRIFLUORO-1-(5-NITRO-1H-INDOL-3-YL)-AC2704AKOS017547878AC-29821CS-12419SY058230DB-093392
Database identifiers
- CAS
101832-10-4- PubChem CID
- 58971
- DTXSID
DTXSID80144239
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Melting point
- 243 °C · 243 °C
- Boiling point
- 400.4 · 400.4±40.0 °C(Predicted)
- Density
- 1.597 · 1.597±0.06 g/cm3(Predicted)
- pka
- 12.55 · 12.55±0.30(Predicted)
Chemistry & industry
Suppliers6 total
韶远科技（上海）有限公司4000665055 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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