Basic information
- Standard SMILES
COc1ccc(-c2sc(-c3ccc(C#N)cc3)cc2Br)cc1- InChIKey
VAMPYPUWTALXMZ-UHFFFAOYSA-N- Molecular formula
- C18H12BrNOS
- Average molar mass
- 370.3 g/mol
- Monoisotopic mass
- 368.9823
Names & identifiers
- Preferred name
- 4-(4-Bromo-5-(4-methoxyphenyl)thiophen-2-yl)benzonitrile
- IUPAC
- 4-[4-bromo-5-(4-methoxyphenyl)thiophen-2-yl]benzonitrile
Names & synonyms
4-(4-bromo-5-(4-methoxyphenyl)thiophen-2-yl)benzonitrile1429209-23-3SCHEMBL14838440VAMPYPUWTALXMZ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 89484064
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Related reactions
1 records
Compound notes
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