Basic information
- CAS
101832-03-5- Standard SMILES
O=[N+]([O-])c1ccc2[nH]cc(C(O)C(F)(F)F)c2c1- InChIKey
IIQOJMXNXDESET-UHFFFAOYSA-N- Molecular formula
- C10H7F3N2O3
- Average molar mass
- 260.17 g/mol
- Monoisotopic mass
- 260.04087658
Names & identifiers
- Preferred name
- 3-Indolemethanol, 5-nitro-alpha-(trifluoromethyl)-
- IUPAC
- 2,2,2-trifluoro-1-(5-nitro-1H-indol-3-yl)ethanol
Names & synonyms
3-INDOLEMETHANOL, 5-NITRO-alpha-(TRIFLUOROMETHYL)-101832-03-5RefChem:10680441-(5-Nitro-3-indolyl)-2-trifluoroethyl alcoholNSC330183NSC-330183
Database identifiers
- CAS
101832-03-5- PubChem CID
- 58962
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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