Basic information
- Standard SMILES
O=C=Nc1nc2cccc(Br)c2s1- InChIKey
AJRHVJCSKTXKJW-UHFFFAOYSA-N- Molecular formula
- C8H3BrN2OS
- Average molar mass
- 255.09 g/mol
- Monoisotopic mass
- 253.91495
Names & identifiers
- Preferred name
- 7-Bromobenzothiazol-2-yl isocyanate
- IUPAC
- 7-bromo-2-isocyanato-1,3-benzothiazole
Names & synonyms
AJRHVJCSKTXKJW-UHFFFAOYSA-N7-bromobenzothiazol-2-yl isocyanate
Database identifiers
- PubChem CID
- 53646458
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 244
Related reactions
12 records
Compound notes
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