Basic information
- CAS
872604-30-3- Standard SMILES
NC(=O)Nc1ccc2[nH]c3cc(C(F)(F)F)ccc3c2c1- InChIKey
HBPRRKVUKLLMDA-UHFFFAOYSA-N- Molecular formula
- C14H10F3N3O
- Average molar mass
- 293.24 g/mol
- Monoisotopic mass
- 293.07759644
Names & identifiers
- Preferred name
- [7-(trifluoromethyl)-9H-carbazol-3-yl]urea
- IUPAC
- [7-(trifluoromethyl)-9H-carbazol-3-yl]urea
Names & synonyms
[7-(trifluoromethyl)-9H-carbazol-3-yl]urea872604-30-3CHEMBL1803018N-[7-(trifluoromethyl)-9H-carbazol-3-yl]ureaSCHEMBL4127282DTXSID50470537BDBM50347614
Database identifiers
- CAS
872604-30-3- PubChem CID
- 11680877
- DTXSID
DTXSID50470537- ChEMBL
CHEMBL1803018
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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