Basic information
- CAS
6310-81-2- Standard SMILES
O=C=Nc1ccc2[nH]c3ccccc3c2c1- InChIKey
XAULNDLXIJUNTK-UHFFFAOYSA-N- Molecular formula
- C13H8N2O
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.06366288
Names & identifiers
- Preferred name
- 3-Isocyanato-9h-carbazole
- IUPAC
- 3-isocyanato-9H-carbazole
Names & synonyms
3-isocyanato-9h-carbazole6310-81-2NSC43956DTXSID90979059NSC-43956
Database identifiers
- CAS
6310-81-2- PubChem CID
- 239149
- DTXSID
DTXSID90979059
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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