3-(Bromomethyl)-1-benzothiophene-2-carbonitrile
Basic information
- CAS
39826-79-4- Standard SMILES
N#Cc1sc2ccccc2c1CBr- InChIKey
XBBNYJQKXZXKSZ-UHFFFAOYSA-N- Molecular formula
- C10H6BrNS
- Average molar mass
- 252.13 g/mol
- Monoisotopic mass
- 250.94043
Names & identifiers
- Preferred name
- 3-(Bromomethyl)-1-benzothiophene-2-carbonitrile
- IUPAC
- 3-(bromomethyl)-1-benzothiophene-2-carbonitrile
Names & synonyms
39826-79-43-(bromomethyl)-1-benzothiophene-2-carbonitrileNSC154720DTXSID10302865NSC-154720
Database identifiers
- CAS
39826-79-4- PubChem CID
- 290637
- DTXSID
DTXSID10302865
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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