Basic information
- CAS
74592-78-2- Standard SMILES
N#CC(O)C(Br)(Br)Br- InChIKey
YRVKHDJXSXWQKB-UHFFFAOYSA-N- Molecular formula
- C3H2Br3NO
- Average molar mass
- 307.77 g/mol
- Monoisotopic mass
- 304.76865
Names & identifiers
- Preferred name
- 3,3,3-Tribromo-2-hydroxypropanenitrile
- IUPAC
- 3,3,3-tribromo-2-hydroxypropanenitrile
Names & synonyms
74592-78-23,3,3-tribromo-2-hydroxypropanenitrileNSC11213,3,-TRIBROMO-2-HYDROXYPROPANONITRILEDTXSID50277200NSC-1121
Database identifiers
- CAS
74592-78-2- PubChem CID
- 219616
- DTXSID
DTXSID50277200
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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